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Search results for: '1001-58-7'
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4-(difluoromethyl)piperidine
Cas Number: 1283717-58-7Formula: C6H11F2NMolecular weight: 135.155Synonyms: 4-(DIFLUOROMETHYL)PIPERIDINE HYDROCHLORIDE|1283717-58-7|4-(DifluoroMethyl)piperid...|4-(Difluorometh...SMILES: C1CNCCC1C(F)F.ClInChIKey: GBTVMRGLIWAZPK-UHFFFAOYSA-NInChI: InChI=1S/C6H11F2N.ClH/c7-6(8)5-1-3-9-4-2-5;/h5-6,9H,1-4H2;1H
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2,4,5,6-Tetraaminopyrimidine sulfate salt
Formula: C4H8N6· H2SO4Molecular weight: 238.23Synonyms: 2,4,5,6-Tetraaminopyrimidine sulfate|5392-28-9|Pyrimidinetetramine sulfate|Pyrimidine-2,4,5,6-tetraa...SMILES: C1(=C(N=C(N=C1N)N)N)N.OS(=O)(=O)OInChIKey: MQEFDQWUCTUJCP-UHFFFAOYSA-NInChI: InChI=1S/C4H8N6.H2O4S/c5-1-2(6)9-4(8)10-3(1)7;1-5(2,3)4/h5H2,(H6,6,7,8,9,10);(H2,1,2,3,4)
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Azaguanine-8
Formula: C4H4N6OMolecular weight: 152.11Synonyms: 8-AZAGUANINE|134-58-7|Azaguanine-8|Guanazolo|Azaguanine|Pathocidin|Pathocidine|Guanazol|Triazologuan...SMILES: C12=NNN=C1N=C(NC2=O)NInChIKey: LPXQRXLUHJKZIE-UHFFFAOYSA-NInChI: InChI=1S/C4H4N6O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h(H4,5,6,7,8,9,10,11)
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4-bromo-1-methyl-pyrazolo[4,3-c]pyridine-6-carboxylic acid
Cas Number: 2633010-58-7Formula: C8H6N3O2BrMolecular weight: 256.06Synonyms: 2633010-58-7 | 4-bromo-1-methyl-pyrazolo[4,3-c]pyridine-6-carboxylic acid | 4-Bromo-1-methyl-1H-pyra...SMILES: CN1C2=CC(=NC(=C2C=N1)Br)C(=O)OInChIKey: SDMYYAZSNNCGDN-UHFFFAOYSA-NInChI: InChI=1S/C8H6BrN3O2/c1-12-6-2-5(8(13)14)11-7(9)4(6)3-10-12/h2-3H,1H3,(H,13,14)
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3-Bromo-2-(trifluoromethyl)pyridine
Cas Number: 590371-58-7Formula: C6H3BrF3NMolecular weight: 225.99Synonyms: 3-bromo-2-(trifluoromethyl)pyridine|590371-58-7|3-Bromo-2-trifluoromethylpyridine|3-bromo-2-trifluor...SMILES: C1=CC(=C(N=C1)C(F)(F)F)BrInChIKey: SMZAZDGFGOHROS-UHFFFAOYSA-NInChI: InChI=1S/C6H3BrF3N/c7-4-2-1-3-11-5(4)6(8,9)10/h1-3H
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4-Methoxy-3-nitrobenzamide
Cas Number: 10397-58-7Formula: C8H8N2O4Molecular weight: 196.16Synonyms: 4-Methoxy-3-nitrobenzamide|10397-58-7|Benzamide, 4-methoxy-3-nitro-|3-Nitro-p-anisamide|p-Anisamide,...SMILES: COC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]InChIKey: PCQFJXUTKOUTRW-UHFFFAOYSA-NInChI: InChI=1S/C8H8N2O4/c1-14-7-3-2-5(8(9)11)4-6(7)10(12)13/h2-4H,1H3,(H2,9,11)
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2-(Difluoromethoxy)pyridin-3-amine
Cas Number: 1214344-58-7Formula: C6H6F2N2OMolecular weight: 160.12Synonyms: 2-(difluoromethoxy)pyridin-3-amine|1214344-58-7|3-Amino-2-(difluoromethoxy)pyridine|MFCD13185864|3-P...SMILES: C1=CC(=C(N=C1)OC(F)F)NInChIKey: DWDLHRLEFAHRPR-UHFFFAOYSA-NInChI: InChI=1S/C6H6F2N2O/c7-6(8)11-5-4(9)2-1-3-10-5/h1-3,6H,9H2
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benzyl 3-hydroxycyclobutane-1-carboxylate
Cas Number: 480449-99-8Formula: C12H14O3Molecular weight: 206.241Synonyms: benzyl 3-hydroxycyclobutanecarboxylate|480449-99-8|Benzyl cis-3-hydroxycyclobutanecarboxylate|552849...SMILES: C1C(CC1O)C(=O)OCC2=CC=CC=C2InChIKey: XNZBUAFOVHWZNQ-UHFFFAOYSA-NInChI: InChI=1S/C12H14O3/c13-11-6-10(7-11)12(14)15-8-9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2
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4,5-Dichloro-1H-pyrrolo[2,3-b]pyridine
Cas Number: 1142192-58-2Formula: C7H4Cl2N2Molecular weight: 187.03Synonyms: 4,5-DICHLORO-7-AZAINDOLE | 4,5-Dichloro-1H-pyrrolo[2,3-b]pyridine, AldrichCPR | MFCD12401653 | A8942...SMILES: C1=CNC2=NC=C(C(=C21)Cl)ClInChIKey: JCLZDOZRYOFSNV-UHFFFAOYSA-NInChI: InChI=1S/C7H4Cl2N2/c8-5-3-11-7-4(6(5)9)1-2-10-7/h1-3H,(H,10,11)
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D-α-Tocopherol Acetate
Formula: C31H52O3Molecular weight: 472.74Synonyms: Vitamin E acetate|alpha-Tocopherol acetate|58-95-7|Tocopherol acetate|Alfacol|D-alpha-tocopherol ace...SMILES: CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)C)CInChIKey: ZAKOWWREFLAJOT-CEFNRUSXSA-NInChI: InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1
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6-chloro-3-nitro-pyridine-2-carboxylic acid
Cas Number: 1204400-58-7Formula: C6H3N2O4ClMolecular weight: 202.55Synonyms: 6-chloro-3-nitropyridine-2-carboxylic acid | 1204400-58-7 | FT-0757756 | METHYLN-PROPYLNITROSAMINE |...SMILES: C1=CC(=NC(=C1[N+](=O)[O-])C(=O)O)ClInChIKey: MHDMSQFCLBRNES-UHFFFAOYSA-NInChI: InChI=1S/C6H3ClN2O4/c7-4-2-1-3(9(12)13)5(8-4)6(10)11/h1-2H,(H,10,11)
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benzyl cis-3-hydroxycyclobutanecarboxylate
Cas Number: 552849-32-8Formula: C12H14O3Molecular weight: 206.241Synonyms: benzyl 3-hydroxycyclobutanecarboxylate|480449-99-8|Benzyl cis-3-hydroxycyclobutanecarboxylate|552849...SMILES: C1C(CC1O)C(=O)OCC2=CC=CC=C2InChIKey: XNZBUAFOVHWZNQ-UHFFFAOYSA-NInChI: InChI=1S/C12H14O3/c13-11-6-10(7-11)12(14)15-8-9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2
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4-(trifluoromethyl)-1h-pyrrole-2-carboxylic acid
Cas Number: 149427-58-7Formula: C6H4F3NO2Molecular weight: 179.1Synonyms: 4-(TRIFLUOROMETHYL)-1H-PYRROLE-2-CARBOXYLIC ACID | 149427-58-7 | 4-(TRIFLUOROMETHYL)-1H-PY... | 4-tr...SMILES: C1=C(NC=C1C(F)(F)F)C(=O)OInChIKey: FZLYSJNODQYBNZ-UHFFFAOYSA-NInChI: InChI=1S/C6H4F3NO2/c7-6(8,9)3-1-4(5(11)12)10-2-3/h1-2,10H,(H,11,12)
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2-(4-Amino-phenoxy)-benzoic acid methyl ester
Cas Number: 212189-58-7Formula: C14H13NO3Molecular weight: 243.26Synonyms: methyl 2-(4-aminophenoxy)benzoate|212189-58-7|methyl 2-(4-aminophenoxy)benzenecarboxylate|2-(4-Amino...SMILES: COC(=O)C1=CC=CC=C1OC2=CC=C(C=C2)NInChIKey: FXHKMQZPYDWTCS-UHFFFAOYSA-NInChI: InChI=1S/C14H13NO3/c1-17-14(16)12-4-2-3-5-13(12)18-11-8-6-10(15)7-9-11/h2-9H,15H2,1H3
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1-(pyrimidin-4-yl)pyrrolidin-3-amine dihydrochloride
Cas Number: 2098048-58-7Synonyms: 1-(pyrimidin-4-yl)pyrrolidin-3-amine dihydrochloride | 2098048-58-7 | 1-pyrimidin-4-ylpyrrolidin-3-a...SMILES: C1CN(CC1N)C2=NC=NC=C2.Cl.ClInChIKey: KTUKXWZYTZNIRB-UHFFFAOYSA-NInChI: InChI=1S/C8H12N4.2ClH/c9-7-2-4-12(5-7)8-1-3-10-6-11-8;;/h1,3,6-7H,2,4-5,9H2;2*1H
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Methyl chroman-2-carboxylate
Cas Number: 113771-58-7Formula: C11H12O3Molecular weight: 192.2Synonyms: Methyl chroman-2-carboxylate|113771-58-7|methyl chromane-2-carboxylate|methyl 3,4-dihydro-2H-chromen...SMILES: COC(=O)C1CCC2=CC=CC=C2O1InChIKey: CLPFQFDVPGZONF-UHFFFAOYSA-NInChI: InChI=1S/C11H12O3/c1-13-11(12)10-7-6-8-4-2-3-5-9(8)14-10/h2-5,10H,6-7H2,1H3
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1,4-Dichloroisoquinoline
Cas Number: 15298-58-5Formula: C9H5Cl2NMolecular weight: 198.05Synonyms: 1,4-dichloroisoquinoline|15298-58-5|MFCD05664199|isoquinoline, 1,4-dichloro-|SCHEMBL196720|DTXSID303...SMILES: C1=CC=C2C(=C1)C(=CN=C2Cl)ClInChIKey: HAOKHVBZPIURMZ-UHFFFAOYSA-NInChI: InChI=1S/C9H5Cl2N/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h1-5H
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Candesartan-d5
Cas Number: 1189650-58-5Formula: C24H15D5N6O3Molecular weight: 445.48Synonyms: 2-[(~2~H_5_)Ethyloxy]-1-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1H-benzimidazole-7-carbo...SMILES: CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OInChIKey: HTQMVQVXFRQIKW-ZBJDZAJPSA-NInChI: InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)/i1D3,2D2
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5-Amino-8-chloroquinoline
Cas Number: 75793-58-7Formula: C9H7ClN2Molecular weight: 178.6Synonyms: 5-Amino-8-chloroquinoline|75793-58-7|8-Chloroquinolin-5-amine|MFCD09802113|5-Quinolinamine, 8-chloro...SMILES: C1=CC2=C(C=CC(=C2N=C1)Cl)NInChIKey: GEEHXKRRPLHNCM-UHFFFAOYSA-NInChI: InChI=1S/C9H7ClN2/c10-7-3-4-8(11)6-2-1-5-12-9(6)7/h1-5H,11H2
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3,4-Bis(Benzyloxy)Benzyl Alcohol
Cas Number: 1699-58-7Formula: C21H20O3Molecular weight: 320.392Synonyms: 3,4-Bis(benzyloxy)benzyl alcohol|1699-58-7|[3,4-Bis(benzyloxy)phenyl]methanol|[3,4-bis(phenylmethoxy...SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)CO)OCC3=CC=CC=C3InChIKey: LADVXQNFPXBLDY-UHFFFAOYSA-NInChI: InChI=1S/C21H20O3/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)21(13-19)24-16-18-9-5-2-6-10-18/h1-13,22H,14-16H2
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N,N-Diethyl 3-boronobenzenesulfonamide
Cas Number: 871329-58-7Formula: C10H16BNO4SMolecular weight: 257.1Synonyms: 871329-58-7|N,N-Diethyl 3-boronobenzenesulfonamide|(3-(N,N-Diethylsulfamoyl)phenyl)boronic acid|[3-(...SMILES: B(C1=CC(=CC=C1)S(=O)(=O)N(CC)CC)(O)OInChIKey: PSMCZVAPCNNYTE-UHFFFAOYSA-NInChI: InChI=1S/C10H16BNO4S/c1-3-12(4-2)17(15,16)10-7-5-6-9(8-10)11(13)14/h5-8,13-14H,3-4H2,1-2H3
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2-Furoylacetonitrile
Cas Number: 31909-58-7Formula: C7H5NO2Molecular weight: 135.12Synonyms: 2-Furoylacetonitrile|31909-58-7|3-(furan-2-yl)-3-oxopropanenitrile|3-(2-furyl)-3-oxopropanenitrile|b...SMILES: C1=COC(=C1)C(=O)CC#NInChIKey: RZNSHBXVTAHWPP-UHFFFAOYSA-NInChI: InChI=1S/C7H5NO2/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5H,3H2
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Dicyandiamide
Formula: C2H4N4Molecular weight: 84.08Synonyms: Dicyandiamide|CYANOGUANIDINE|461-58-5|Dicyanodiamide|2-Cyanoguanidine|N-Cyanoguanidine|1-Cyanoguanid...SMILES: C(#N)N=C(N)NInChIKey: QGBSISYHAICWAH-UHFFFAOYSA-NInChI: InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)
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(2-Pyrrolidin-1-ylphenyl)amine
Cas Number: 21627-58-7Formula: C10H14N2Molecular weight: 162.23Synonyms: 2-(pyrrolidin-1-yl)aniline|21627-58-7|2-pyrrolidin-1-ylaniline|2-Pyrrolidinoaniline|2-Pyrrolidin-1-y...SMILES: C1CCN(C1)C2=CC=CC=C2NInChIKey: BFPUBGCFJMIZDF-UHFFFAOYSA-NInChI: InChI=1S/C10H14N2/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-2,5-6H,3-4,7-8,11H2
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