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Search results for: '79491-44-4'
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2,3-Dimethoxy-6-nitropyridine
Cas Number: 79491-44-4Formula: C7H8N2O4Molecular weight: 184.1Synonyms: 2,3-DIMETHOXY-6-NITROPYRIDINE|79491-44-4|SCHEMBL4158236|DTXSID50509114|QDBVUQQJSXYDHF-UHFFFAOYSA-N|M...SMILES: COC1=C(N=C(C=C1)[N+](=O)[O-])OCInChIKey: QDBVUQQJSXYDHF-UHFFFAOYSA-NInChI: InChI=1S/C7H8N2O4/c1-12-5-3-4-6(9(10)11)8-7(5)13-2/h3-4H,1-2H3
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tert-butyl 6-bromo-4-formyl-indazole-1-carboxylate
Cas Number: 2828220-44-4Formula: C13H13N2O3BrMolecular weight: 325.16Synonyms: F78241 | TERT-BUTYL 6-BROMO-4-FORMYL-INDAZOLE-1-CARBOXYLATE | 2828220-44-4SMILES: CC(C)(C)OC(=O)N1C2=CC(=CC(=C2C=N1)C=O)BrInChIKey: MWCWFLFYSLIBQK-UHFFFAOYSA-NInChI: InChI=1S/C13H13BrN2O3/c1-13(2,3)19-12(18)16-11-5-9(14)4-8(7-17)10(11)6-15-16/h4-7H,1-3H3
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Dihydroxybis(hydrogen Lactato)titanium(IV)
Cas Number: 79110-90-0Formula: C6H12O8TiMolecular weight: 260.02Synonyms: 2-hydroxypropanoate;titanium(4+);dihydroxide | Tilac | Dihydroxybis(hydrogen Lactato)titanium(IV) | ...SMILES: CC(C(=O)[O-])O.CC(C(=O)[O-])O.[OH-].[OH-].[Ti+4]InChIKey: DTQHSUHILQWIOM-UHFFFAOYSA-JInChI: InChI=1S/2C3H6O3.2H2O.Ti/c2*1-2(4)3(5)6;;;/h2*2,4H,1H3,(H,5,6);2*1H2;/q;;;;+4/p-4
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tert-butyl (3S,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
Synonyms: 1174020-44-0|tert-butyl (3S,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate|955029-44-4|(3S,4S)-tert-...SMILES: CC(C)(C)OC(=O)N1CCC(C(C1)F)OInChIKey: XRNLYXKYODGLMI-YUMQZZPRSA-NInChI: InChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7-8,13H,4-6H2,1-3H3/t7-,8-/m0/s1
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3-chloro-1H-indole-4-carboxylic acid
Cas Number: 1556154-44-9 EC Number: 875-353-4Formula: C9H6ClNO2Molecular weight: 195.6Synonyms: EN300-8331773 | MFCD27974410 | P20562 | BS-43504 | 3-Chloro-1H-indole-4-carboxylic acid | 1556154-44...SMILES: C1=CC(=C2C(=C1)NC=C2Cl)C(=O)OInChIKey: ZEQDVTCFHYZUKW-UHFFFAOYSA-NInChI: InChI=1S/C9H6ClNO2/c10-6-4-11-7-3-1-2-5(8(6)7)9(12)13/h1-4,11H,(H,12,13)
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5-Bromo-4-heptylpyrimidine
Cas Number: 951884-44-9Formula: C11H17BrN2Molecular weight: 257.2Synonyms: 5-Bromo-4-heptylpyrimidine|951884-44-9|5-bromo-4-heptyl-pyrimidine|DTXSID60656901|BNB88444|MFCD09800...SMILES: CCCCCCCC1=NC=NC=C1BrInChIKey: GXNHVVXVVMYFNR-UHFFFAOYSA-NInChI: InChI=1S/C11H17BrN2/c1-2-3-4-5-6-7-11-10(12)8-13-9-14-11/h8-9H,2-7H2,1H3
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DL-2-Isobutylserine
Cas Number: 7522-44-3Formula: C7H15NO3Molecular weight: 161.2Synonyms: 7522-44-3|2-amino-2-(hydroxymethyl)-4-methylpentanoic acid|DL-2-ISOBUTYLSERINE|SCHEMBL3100826|DTXSID...SMILES: CC(C)CC(CO)(C(=O)O)NInChIKey: UKFHHTGBNYQWFD-UHFFFAOYSA-NInChI: InChI=1S/C7H15NO3/c1-5(2)3-7(8,4-9)6(10)11/h5,9H,3-4,8H2,1-2H3,(H,10,11)
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4-Bromo-6-ethyl-2-methylquinoline
Cas Number: 1070879-44-5Formula: C12H12BrNMolecular weight: 250.13Synonyms: VSB87944 | MFCD11505128 | SB71756 | DTXSID20653693 | 1070879-44-5 | 4-Bromo-6-ethyl-2-methylquinolin...SMILES: CCC1=CC2=C(C=C(N=C2C=C1)C)BrInChIKey: ALBMSDIUFYWOPN-UHFFFAOYSA-NInChI: InChI=1S/C12H12BrN/c1-3-9-4-5-12-10(7-9)11(13)6-8(2)14-12/h4-7H,3H2,1-2H3
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4-Chloro-alpha-methylbenzylisocyanide
Cas Number: 131025-44-0Formula: C9H8ClNMolecular weight: 165.62Synonyms: 1-(4-chlorophenyl)ethyl isocyanide|131025-44-0|1-chloro-4-(1-isocyanoethyl)benzene|SCHEMBL3901288|DT...SMILES: CC(C1=CC=C(C=C1)Cl)[N+]#[C-]InChIKey: PTCRILROABBUQB-UHFFFAOYSA-NInChI: InChI=1S/C9H8ClN/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7H,1H3
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4-Chloro-6-fluoro-2-methylquinazoline
Cas Number: 1044768-44-6Formula: C9H6ClFN2Molecular weight: 196.6Synonyms: 4-chloro-6-fluoro-2-methylquinazoline|1044768-44-6|MFCD11047031|DTXSID40647978|BCP27462|AKOS00514599...SMILES: CC1=NC2=C(C=C(C=C2)F)C(=N1)ClInChIKey: GVNJOQDCIFAIOG-UHFFFAOYSA-NInChI: InChI=1S/C9H6ClFN2/c1-5-12-8-3-2-6(11)4-7(8)9(10)13-5/h2-4H,1H3
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4-Isobutoxyphenylboronic acid(contains varying amounts of Anhydride)
Cas Number: 153624-44-3Formula: C10H15BO3Molecular weight: 194.04Synonyms: 4-Isobutoxyphenylboronic acid|153624-44-3|(4-Isobutoxyphenyl)boronic acid|[4-(2-METHYLPROPOXY)PHENYL...SMILES: B(C1=CC=C(C=C1)OCC(C)C)(O)OInChIKey: UCIPLLNDFCCBAC-UHFFFAOYSA-NInChI: InChI=1S/C10H15BO3/c1-8(2)7-14-10-5-3-9(4-6-10)11(12)13/h3-6,8,12-13H,7H2,1-2H3
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1-Bromo-4-(trimethylsiloxy)benzene
Cas Number: 17878-44-3Formula: C9H13BrOSiMolecular weight: 245.19Synonyms: 17878-44-3|(4-Bromophenoxy)trimethylsilane|Silane, (4-bromophenoxy)trimethyl-|(4-bromophenoxy)-trime...SMILES: C[Si](C)(C)OC1=CC=C(C=C1)BrInChIKey: HWKPTBHJWBSOOP-UHFFFAOYSA-NInChI: InChI=1S/C9H13BrOSi/c1-12(2,3)11-9-6-4-8(10)5-7-9/h4-7H,1-3H3
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4-Methylphenoxyacetonitrile
Cas Number: 33901-44-9Formula: C9H9NOMolecular weight: 147.178Synonyms: 4-Methylphenoxyacetonitrile|33901-44-9|2-(4-methylphenoxy)acetonitrile|2-(p-tolyloxy)acetonitrile|MF...SMILES: CC1=CC=C(C=C1)OCC#NInChIKey: GOCOKJDTFHEYKP-UHFFFAOYSA-NInChI: InChI=1S/C9H9NO/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5H,7H2,1H3
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2-Bromo-4-chloro-5-fluoropyridine
Cas Number: 1033203-44-9Formula: C5H2BrClFNMolecular weight: 210.43Synonyms: 2-bromo-4-chloro-5-fluoropyridine|1033203-44-9|MFCD11100658|SCHEMBL16926452|DTXSID80735126|AKOS01596...SMILES: C1=C(C(=CN=C1Br)F)ClInChIKey: HLUPMKHZIRJTHT-UHFFFAOYSA-NInChI: InChI=1S/C5H2BrClFN/c6-5-1-3(7)4(8)2-9-5/h1-2H
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2,5-Difluoro-4-methoxybenzonitrile
Cas Number: 1007605-44-8Formula: C8H5F2NOMolecular weight: 169.13Synonyms: 2,5-difluoro-4-methoxybenzonitrile|1007605-44-8|MFCD06246886|Benzonitrile, 2,5-difluoro-4-methoxy-|S...SMILES: COC1=C(C=C(C(=C1)F)C#N)FInChIKey: WQQDILMHKBTFNR-UHFFFAOYSA-NInChI: InChI=1S/C8H5F2NO/c1-12-8-3-6(9)5(4-11)2-7(8)10/h2-3H,1H3
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5-(2-Chlorophenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
Cas Number: 861238-44-0Formula: C14H8ClN3O3Molecular weight: 301.7Synonyms: 5-(2-chlorophenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole|861238-44-0|SCHEMBL16592585|DTXSID40358956|MFC...SMILES: C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])ClInChIKey: VAJPOGWNCSNRAY-UHFFFAOYSA-NInChI: InChI=1S/C14H8ClN3O3/c15-12-4-2-1-3-11(12)14-16-13(17-21-14)9-5-7-10(8-6-9)18(19)20/h1-8H
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4-Aminocarbonylphenylboronic acid, pinacol ester
Cas Number: 179117-44-3Formula: C13H18BNO3Molecular weight: 247.1Synonyms: 179117-44-3|4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide|4-Aminocarbonylphenylboronic ac...SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)NInChIKey: NWEMAGLLVQDEKL-UHFFFAOYSA-NInChI: InChI=1S/C13H18BNO3/c1-12(2)13(3,4)18-14(17-12)10-7-5-9(6-8-10)11(15)16/h5-8H,1-4H3,(H2,15,16)
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2-Methylsulfanylpyrimidine-4-carboxylic acid
Cas Number: 1126-44-9Formula: C6H6N2O2SMolecular weight: 170.19Synonyms: 2-(methylthio)pyrimidine-4-carboxylic acid | 2-Methylsulfanyl-pyrimidine-4-carboxylic acid | 2-Methy...SMILES: CSC1=NC=CC(=N1)C(=O)OInChIKey: IAGNLKODEFUQDV-UHFFFAOYSA-NInChI: InChI=1S/C6H6N2O2S/c1-11-6-7-3-2-4(8-6)5(9)10/h2-3H,1H3,(H,9,10)
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4-(N,N-Dibenzylamino)phenylboronic acid
Cas Number: 159191-44-3Formula: C20H20BNO2Molecular weight: 317.2Synonyms: 159191-44-3|4-(N,N-DIBENZYLAMINO)PHENYLBORONIC ACID|(4-(Dibenzylamino)phenyl)boronic acid|[4-(Dibenz...SMILES: B(C1=CC=C(C=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)(O)OInChIKey: KLGQJKOCSXZOBV-UHFFFAOYSA-NInChI: InChI=1S/C20H20BNO2/c23-21(24)19-11-13-20(14-12-19)22(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14,23-24H,15-16H2
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(4R)-4-amino-3,3-dimethylpyrrolidin-2-one
Cas Number: 1638744-44-1Formula: C6H12N2OMolecular weight: 128.18Synonyms: (4R)-4-amino-3,3-dimethylpyrrolidin-2-one | AKOS030238139 | 1638744-44-1 | 2-Pyrrolidinone, 4-amino-...SMILES: CC1(C(CNC1=O)N)CInChIKey: SDMORDSHKGMDJC-BYPYZUCNSA-NInChI: InChI=1S/C6H12N2O/c1-6(2)4(7)3-8-5(6)9/h4H,3,7H2,1-2H3,(H,8,9)/t4-/m0/s1
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1,2,3,4,5,6,7,8-Octafluoro-9,10-bis[4-(trifluoromethyl)phenyl]anthracene
Cas Number: 1067426-44-1Formula: C28H8F14Molecular weight: 610.34Synonyms: FFUQDRYCGMPMRR-UHFFFAOYSA-N | SCHEMBL21001760 | 1067426-44-1 | C28H8F14 | 1,2,3,4,5,6,7,8-Octafluoro...SMILES: C1=CC(=CC=C1C2=C3C(=C(C4=C2C(=C(C(=C4F)F)F)F)C5=CC=C(C=C5)C(F)(F)F)C(=C(C(=C3F)F)F)F)C(F)(F)FInChIKey: FFUQDRYCGMPMRR-UHFFFAOYSA-NInChI: InChI=1S/C28H8F14/c29-19-15-13(9-1-5-11(6-2-9)27(37,38)39)16-18(22(32)26(36)24(34)20(16)30)14(17(15)21(31)25(35)23(19)33)10-3-7-12(8-4-10)28(40,41)42/h1-8H
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2-Methoxypyrimidine-4-carbaldehyde
Cas Number: 164738-44-7Formula: C6H6N2O2Molecular weight: 138.12Synonyms: 2-methoxypyrimidine-4-carbaldehyde|164738-44-7|4-Pyrimidinecarboxaldehyde, 2-methoxy-|4-Pyrimidineca...SMILES: COC1=NC=CC(=N1)C=OInChIKey: TWESBRAYQPCROD-UHFFFAOYSA-NInChI: InChI=1S/C6H6N2O2/c1-10-6-7-3-2-5(4-9)8-6/h2-4H,1H3
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4-Methoxypicolinonitrile
Cas Number: 36057-44-0Formula: C7H6N2OMolecular weight: 134.1Synonyms: 4-Methoxypicolinonitrile|4-Methoxypyridine-2-carbonitrile|36057-44-0|2-Cyano-4-methoxypyridine|2-Pyr...SMILES: COC1=CC(=NC=C1)C#NInChIKey: PWGGPHUKKQTXAY-UHFFFAOYSA-NInChI: InChI=1S/C7H6N2O/c1-10-7-2-3-9-6(4-7)5-8/h2-4H,1H3
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methyl (3S,4R)-4-methylpiperidine-3-carboxylate;hydrochloride
Cas Number: 2387561-44-4Synonyms: 2387561-44-4 | Methyl (3S,4R)-4-methylpiperidine-3-carboxylate hydrochloride | methyl (3S,4R)-4-meth...SMILES: CC1CCNCC1C(=O)OC.ClInChIKey: QATUSYOQNXADOL-ZJLYAJKPSA-NInChI: InChI=1S/C8H15NO2.ClH/c1-6-3-4-9-5-7(6)8(10)11-2;/h6-7,9H,3-5H2,1-2H3;1H/t6-,7-;/m1./s1
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