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Search results for: '957062-88-3'
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N-p-Tolyl 4-boronobenzenesulfonamide
Cas Number: 957062-88-3Formula: C13H14BNO4SMolecular weight: 291.1Synonyms: 957062-88-3|N-p-Tolyl 4-boronobenzenesulfonamide|(4-(N-(P-tolyl)sulfamoyl)phenyl)boronic acid|[4-[(4...SMILES: B(C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C)(O)OInChIKey: RGJGYRYMFMLJEU-UHFFFAOYSA-NInChI: InChI=1S/C13H14BNO4S/c1-10-2-6-12(7-3-10)15-20(18,19)13-8-4-11(5-9-13)14(16)17/h2-9,15-17H,1H3
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3-(2-Ethoxy-2-oxoethoxy)phenylboronic acid
Cas Number: 957062-63-4Formula: C10H13BO5Molecular weight: 224Synonyms: 957062-63-4|(3-(2-Ethoxy-2-oxoethoxy)phenyl)boronic acid|3-(2-Ethoxy-2-oxoethoxy)phenylboronic acid|...SMILES: B(C1=CC(=CC=C1)OCC(=O)OCC)(O)OInChIKey: KJVPNIFNXDECMJ-UHFFFAOYSA-NInChI: InChI=1S/C10H13BO5/c1-2-15-10(12)7-16-9-5-3-4-8(6-9)11(13)14/h3-6,13-14H,2,7H2,1H3
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3-Fluoro-DL-phenylalanine
Formula: FC6H4CH2CH(NH2)COOHMolecular weight: 183.18Synonyms: 3-Fluoro-dl-phenylalanine|456-88-2|2629-54-1|H-DL-PHE(3-F)-OH|3-Fluorophenylalanine|2-amino-3-(3-flu...SMILES: C1=CC(=CC(=C1)F)CC(C(=O)O)NInChIKey: VWHRYODZTDMVSS-UHFFFAOYSA-NInChI: InChI=1S/C9H10FNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
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3-Chloro-N,2-dimethylaniline, HCl
Cas Number: 957062-82-7Formula: C8H11Cl2NMolecular weight: 192.1Synonyms: 957062-82-7|3-Chloro-N,2-dimethylaniline hydrochloride|3-Chloro-N,2-dimethylaniline, HCl|3-chloro-N,...SMILES: CC1=C(C=CC=C1Cl)NC.ClInChIKey: HBPRPSKNUFNRKO-UHFFFAOYSA-NInChI: InChI=1S/C8H10ClN.ClH/c1-6-7(9)4-3-5-8(6)10-2;/h3-5,10H,1-2H3;1H
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3-Hydroxy-5-(trifluoromethyl)phenylboronic acid
Cas Number: 957062-66-7Formula: C7H6BF3O3Molecular weight: 205.9Synonyms: 957062-66-7|(3-Hydroxy-5-(trifluoromethyl)phenyl)boronic acid|3-Hydroxy-5-(trifluoromethyl)phenylbor...SMILES: B(C1=CC(=CC(=C1)O)C(F)(F)F)(O)OInChIKey: KHBHZULNSZTOAL-UHFFFAOYSA-NInChI: InChI=1S/C7H6BF3O3/c9-7(10,11)4-1-5(8(13)14)3-6(12)2-4/h1-3,12-14H
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4-(Ethoxymethoxy)phenylboronic acid
Cas Number: 957062-54-3Formula: C9H13BO4Molecular weight: 196Synonyms: 957062-54-3|(4-(Ethoxymethoxy)phenyl)boronic acid|4-(Ethoxymethoxy)phenylboronic acid|[4-(ethoxymeth...SMILES: B(C1=CC=C(C=C1)OCOCC)(O)OInChIKey: JKJOKHKGCAHUJY-UHFFFAOYSA-NInChI: InChI=1S/C9H13BO4/c1-2-13-7-14-9-5-3-8(4-6-9)10(11)12/h3-6,11-12H,2,7H2,1H3
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4-(2-Nitrophenoxy)phenylboronic acid
Cas Number: 957062-62-3Formula: C12H10BNO5Molecular weight: 259Synonyms: 957062-62-3|4-(2-Nitrophenoxy)phenylboronic acid|(4-(2-Nitrophenoxy)phenyl)boronic acid|[4-(2-nitrop...SMILES: B(C1=CC=C(C=C1)OC2=CC=CC=C2[N+](=O)[O-])(O)OInChIKey: COFSQPXQXYCXFW-UHFFFAOYSA-NInChI: InChI=1S/C12H10BNO5/c15-13(16)9-5-7-10(8-6-9)19-12-4-2-1-3-11(12)14(17)18/h1-8,15-16H
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6-Bromo-2-chloro-3-methoxyphenylboronic acid(contains varying amounts of Anhydride)
Cas Number: 957062-55-4Formula: C7H7BBrClO3Molecular weight: 265.3Synonyms: 957062-55-4|6-Bromo-2-chloro-3-methoxyphenylboronic acid|(6-bromo-2-chloro-3-methoxyphenyl)boronic a...SMILES: B(C1=C(C=CC(=C1Cl)OC)Br)(O)OInChIKey: YITPGJUOVXQLPQ-UHFFFAOYSA-NInChI: InChI=1S/C7H7BBrClO3/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3,11-12H,1H3
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5-(Methoxycarbonyl)thiophene-3-boronic acid
Cas Number: 957062-52-1Formula: C6H7BO4SMolecular weight: 186Synonyms: 957062-52-1|(5-(Methoxycarbonyl)thiophen-3-yl)boronic acid|5-(Methoxycarbonyl)thiophene-3-boronic ac...SMILES: B(C1=CSC(=C1)C(=O)OC)(O)OInChIKey: MGDKHNFETCRNRQ-UHFFFAOYSA-NInChI: InChI=1S/C6H7BO4S/c1-11-6(8)5-2-4(3-12-5)7(9)10/h2-3,9-10H,1H3
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N,N-Dipropyl 3-bromo-5-trifluoromethylbenzenesulfonamide
Cas Number: 957062-78-1Formula: C13H17BrF3NO2SMolecular weight: 388.2Synonyms: 957062-78-1|3-bromo-N,N-dipropyl-5-(trifluoromethyl)benzenesulfonamide|N,N-Dipropyl 3-bromo-5-triflu...SMILES: CCCN(CCC)S(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)BrInChIKey: IUJYPGDHDNNWCH-UHFFFAOYSA-NInChI: InChI=1S/C13H17BrF3NO2S/c1-3-5-18(6-4-2)21(19,20)12-8-10(13(15,16)17)7-11(14)9-12/h7-9H,3-6H2,1-2H3
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4-(N-(3-Chlorophenyl)sulfamoyl)phenylboronic acid
Cas Number: 957062-69-0Formula: C12H11BClNO4SMolecular weight: 311.5Synonyms: 957062-69-0|4-(N-(3-Chlorophenyl)sulfamoyl)phenylboronic acid|(4-(N-(3-Chlorophenyl)sulfamoyl)phenyl...SMILES: B(C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)Cl)(O)OInChIKey: RFMJCHDJLPORGS-UHFFFAOYSA-NInChI: InChI=1S/C12H11BClNO4S/c14-10-2-1-3-11(8-10)15-20(18,19)12-6-4-9(5-7-12)13(16)17/h1-8,15-17H
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5-Fluoro-2-methylcarbamoylphenylboronic acid
Cas Number: 957062-96-3Formula: C8H9BFNO3Molecular weight: 197Synonyms: 957062-96-3|(5-Fluoro-2-(methylcarbamoyl)phenyl)boronic acid|[5-fluoro-2-(methylcarbamoyl)phenyl]bor...SMILES: B(C1=C(C=CC(=C1)F)C(=O)NC)(O)OInChIKey: POAMPDABXAYDGV-UHFFFAOYSA-NInChI: InChI=1S/C8H9BFNO3/c1-11-8(12)6-3-2-5(10)4-7(6)9(13)14/h2-4,13-14H,1H3,(H,11,12)
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2-Bromo-6-chloro-3-methoxyphenylboronic acid(contains varying amounts of Anhydride)
Cas Number: 957062-90-7Formula: C7H7BBrClO3Molecular weight: 265.3Synonyms: 957062-90-7|2-Bromo-6-Chloro-3-methoxyphenylboronic acid|(2-bromo-6-chloro-3-methoxyphenyl)boronic a...SMILES: B(C1=C(C=CC(=C1Br)OC)Cl)(O)OInChIKey: PEEJEHWBRGQIAD-UHFFFAOYSA-NInChI: InChI=1S/C7H7BBrClO3/c1-13-5-3-2-4(10)6(7(5)9)8(11)12/h2-3,11-12H,1H3
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4-Bromo-1-butyl-1H-pyrazole
Cas Number: 957062-61-2Formula: C7H11BrN2Molecular weight: 203.1Synonyms: 4-Bromo-1-butyl-1H-pyrazole|957062-61-2|4-bromo-1-butylpyrazole|4-Bromo-1-butyl-pyrazole|SCHEMBL6724...SMILES: CCCCN1C=C(C=N1)BrInChIKey: KUKZNMXVEOCKFE-UHFFFAOYSA-NInChI: InChI=1S/C7H11BrN2/c1-2-3-4-10-6-7(8)5-9-10/h5-6H,2-4H2,1H3
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(3S)-3-ethynylpiperidine;hydrochloride
Cas Number: 2199320-88-0Synonyms: 2199320-88-0 | (S)-3-Ethynylpiperidine hydrochloride | (3S)-3-ethynylpiperidine | hydrochloride | (3...SMILES: C#CC1CCCNC1.ClInChIKey: DOVRPBHQYGSJIU-OGFXRTJISA-NInChI: InChI=1S/C7H11N.ClH/c1-2-7-4-3-5-8-6-7;/h1,7-8H,3-6H2;1H/t7-;/m1./s1
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3-fluoro-5-nitro-1H-pyrazole
Cas Number: 73305-88-1Formula: C3H2N3O2FMolecular weight: 131.07Synonyms: 3-Fluoro-5-nitro-1H-pyrazole | 73305-88-1 | MFCD29762426 | D84798SMILES: C1=C(NN=C1F)[N+](=O)[O-]InChIKey: JYGIQASGJKUOPB-UHFFFAOYSA-NInChI: InChI=1S/C3H2FN3O2/c4-2-1-3(6-5-2)7(8)9/h1H,(H,5,6)
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2-azabicyclo[4.1.0]heptan-3-one
Cas Number: 97268-88-7Formula: C6H9NOMolecular weight: 111.14Synonyms: 2-Azabicyclo[4.1.0]heptan-3-one | 97268-88-7 | starbld0039696 | PB43994 | E73507SMILES: C1CC(=O)NC2C1C2InChIKey: SHQSKVMZLQYOCE-UHFFFAOYSA-NInChI: InChI=1S/C6H9NO/c8-6-2-1-4-3-5(4)7-6/h4-5H,1-3H2,(H,7,8)
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3-bromo-2,4,6-trifluoro-benzenesulfonyl chloride
Cas Number: 2154410-88-3Formula: C6HO2F3SClBrMolecular weight: 309.49Synonyms: 2154410-88-3 | 3-bromo-2,4,6-trifluoro-benzenesulfonyl chloride | 3-Bromo-2,4,6-trifluorobenzenesulf...SMILES: C1=C(C(=C(C(=C1F)Br)F)S(=O)(=O)Cl)FInChIKey: MFYBTMZFHCBXPD-UHFFFAOYSA-NInChI: InChI=1S/C6HBrClF3O2S/c7-4-2(9)1-3(10)6(5(4)11)14(8,12)13/h1H
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(3R,5R)-1-benzyl-5-methyl-piperidin-3-ol
Cas Number: 1601475-88-0Formula: C13H19NOMolecular weight: 205.3Synonyms: (3R,5R)-1-benzyl-5-methyl-piperidin-3-ol | 1601475-88-0 | SCHEMBL22506618 | F89059SMILES: CC1CC(CN(C1)CC2=CC=CC=C2)OInChIKey: ADFBVTAJGJLTTL-DGCLKSJQSA-NInChI: InChI=1S/C13H19NO/c1-11-7-13(15)10-14(8-11)9-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t11-,13-/m1/s1
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4-(6-Aminopyridin-3-yl)phenol
Cas Number: 96721-88-9Formula: C11H10N2OMolecular weight: 186.2Synonyms: 4-(6-Aminopyridin-3-yl)phenol|96721-88-9|DTXSID10671765|WDA72188|MFCD12033344|AKOS015943737|AB65324|...SMILES: C1=CC(=CC=C1C2=CN=C(C=C2)N)OInChIKey: MSOVIOVREUSBPC-UHFFFAOYSA-NInChI: InChI=1S/C11H10N2O/c12-11-6-3-9(7-13-11)8-1-4-10(14)5-2-8/h1-7,14H,(H2,12,13)
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3-(methylamino)piperidine-2,6-dione
Cas Number: 1494409-88-9Synonyms: 3-(methylamino)piperidine-2,6-dione | 1494409-88-9 | SCHEMBL18475417 | AKOS015310458 | F88627 | A1-4...SMILES: CNC1CCC(=O)NC1=OInChIKey: YAWYREAQLDBQKU-UHFFFAOYSA-NInChI: InChI=1S/C6H10N2O2/c1-7-4-2-3-5(9)8-6(4)10/h4,7H,2-3H2,1H3,(H,8,9,10)
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2,6-diazaspiro[3.5]nonan-7-one
Cas Number: 2387077-88-3Formula: C7H12N2OMolecular weight: 140.18Synonyms: 2,6-Diazaspiro[3.5]nonan-7-one | 2387077-88-3 | starbld0031719 | SCHEMBL18766523 | F88897 | EN300-65...SMILES: C1CC2(CNC2)CNC1=OInChIKey: AHEFXEGPRSJUIM-UHFFFAOYSA-NInChI: InChI=1S/C7H12N2O/c10-6-1-2-7(5-9-6)3-8-4-7/h8H,1-5H2,(H,9,10)
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4,5-dichloropyridine-2-carbonitrile
Cas Number: 1335055-88-3Formula: C6H2N2Cl2Molecular weight: 173Synonyms: 4,5-dichloropyridine-2-carbonitrile | 1335055-88-3 | 4,5-Dichloropicolinonitrile | SCHEMBL18036223 |...SMILES: C1=C(N=CC(=C1Cl)Cl)C#NInChIKey: OACXOZJVEKPFJK-UHFFFAOYSA-NInChI: InChI=1S/C6H2Cl2N2/c7-5-1-4(2-9)10-3-6(5)8/h1,3H
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methyl 3-iodonaphthalene-1-carboxylate
Cas Number: 432516-88-6Formula: C12H9O2IMolecular weight: 312.1Synonyms: methyl 3-iodonaphthalene-1-carboxylate | 432516-88-6 | SCHEMBL14499346 | MFCD18413116 | BS-43485 | C...SMILES: COC(=O)C1=CC(=CC2=CC=CC=C21)IInChIKey: FCBPXMDNOLVKIC-UHFFFAOYSA-NInChI: InChI=1S/C12H9IO2/c1-15-12(14)11-7-9(13)6-8-4-2-3-5-10(8)11/h2-7H,1H3
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