Benzenoids
4-Bromo-2-fluorobenzyl alcohol, 97%, Thermo Scientific Chemicals
CAS: 188582-62-9 Molecular Formula: C7H6BrFO Molecular Weight (g/mol): 205.026 MDL Number: MFCD00143265 InChI Key: BWBJZMQPVBWEJU-UHFFFAOYSA-N Synonym: 4-bromo-2-fluorobenzyl alcohol,4-bromo-2-fluorophenyl methanol,4-bromo-2-fluorobenzylalcohol,benzenemethanol, 4-bromo-2-fluoro,rarechem al bd 0386,timtec-bb sbb005826,4-bromo-2-fluorophenyl methan-1-ol,2-fluoro-4-bromobenzyl alcohol,pubchem3223,acmc-209erg PubChem CID: 2734027 IUPAC Name: (4-bromo-2-fluorophenyl)methanol SMILES: C1=CC(=C(C=C1Br)F)CO
4-Hydroxy-3-nitrobenzonitrile, 98%
CAS: 3272-08-0 Molecular Formula: C7H3N2O3 Molecular Weight (g/mol): 163.11 MDL Number: MFCD00070775 InChI Key: INBLGVOPOSGVTA-UHFFFAOYSA-M Synonym: 4-hydroxy-3-nitrobenzonitrile,2-nitro-4-cyanophenol,benzonitrile, 4-hydroxy-3-nitro,3-nitro-4-hydroxybenzonitrile,4-cyano-2-nitrophenol,4-hydroxy-3-nitro-benzonitrile,4-hydroxy-3-nitrobenzenecarbonitrile,pubchem19690,acmc-1cq5c,ksc494q7b PubChem CID: 76758 IUPAC Name: 4-cyano-2-nitrobenzen-1-olate SMILES: [O-]C1=CC=C(C=C1[N+]([O-])=O)C#N
Methyl 3-amino-5-fluorobenzoate, 98%
CAS: 884497-46-5 Molecular Formula: C8H8FNO2 Molecular Weight (g/mol): 169.155 MDL Number: MFCD05863683 InChI Key: YKEJVXMOMKWEPV-UHFFFAOYSA-N Synonym: methyl3-amino-5-fluorobenzoate,methyl 5-amino-3-fluorobenzoate,5-amino-3-fluorobenzoic acid methyl ester,3-amino-5-fluoro-benzoic acid methyl ester PubChem CID: 3807862 IUPAC Name: methyl 3-amino-5-fluorobenzoate SMILES: COC(=O)C1=CC(=CC(=C1)F)N
2-(Boc-amino)benzeneboronic acid pinacol ester, 97%
CAS: 159624-15-4 Molecular Formula: C17H26BNO4 Molecular Weight (g/mol): 319.208 MDL Number: MFCD03411943 InChI Key: LVHGGVGVAUJQBB-UHFFFAOYSA-N Synonym: tert-butyl 2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,2-boc-amino benzeneboronic acid pinacol ester,2-n-boc-amino phenylboronic acid pinacol ester,tert-butyl-n-2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,tert-butyl n-2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,2-boc-aminophenylboronic acid pinacol ester,tert-butyl n-2-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,2-boc-aminophenyl boronic acid, pinacol ester,2-boc-amino phenylboronic acid pinacol ester,2-tert-butoxycarbonylamino phenylboronic acid, pinacol ester PubChem CID: 2773231 IUPAC Name: tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2NC(=O)OC(C)(C)C
4-(Trifluoromethoxy)phenol, 98%
CAS: 828-27-3 Molecular Formula: C7H5F3O2 Molecular Weight (g/mol): 178.11 MDL Number: MFCD00040988 InChI Key: WDRJNKMAZMEYOF-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy phenol,p-trifluoromethoxy phenol,phenol, 4-trifluoromethoxy,4-hydroxytrifluoromethoxybenzene,4-trifluoromethoxy-phenol,4-hydroxyphenyl trifluoromethyl ether,p-trifluoromethoxyphenol PubChem CID: 70015 IUPAC Name: 4-(trifluoromethoxy)phenol SMILES: OC1=CC=C(OC(F)(F)F)C=C1
5-(4-bromophenyl)-3-methyl-1,2,4-oxadiazole, 97%, Thermo Scientific™
CAS: 71566-07-9 Molecular Formula: C9H7BrN2O Molecular Weight (g/mol): 239.072 InChI Key: AVXXUFMZRHQRTK-UHFFFAOYSA-N PubChem CID: 1214889 IUPAC Name: 5-(4-bromophenyl)-3-methyl-1,2,4-oxadiazole SMILES: CC1=NOC(=N1)C2=CC=C(C=C2)Br
2,2-Diphenylacetamide, 98%
CAS: 4695-13-0 Molecular Formula: C14H13NO Molecular Weight (g/mol): 211.264 MDL Number: MFCD00025496 InChI Key: ZXQVXEAZKZFEEP-UHFFFAOYSA-N Synonym: diphenylacetic acid amide,acetamide, 2,2-diphenyl,alpha-phenylbenzeneacetamide,alpha,alpha-diphenylacetamide,unii-yzx41252dl,2,2-diphenylethanamide,benzeneacetamide, .alpha.-phenyl,.alpha.,.alpha.-diphenylacetamide,acmc-20aojh,2,2-diphenylacetamid PubChem CID: 78420 IUPAC Name: 2,2-diphenylacetamide SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)N
7-Methyl-2,3-dihydro-1H-inden-4-yl acetate, 97%, Thermo Scientific™
CAS: 175136-12-6 Molecular Formula: C12H14O2 Molecular Weight (g/mol): 190.24 MDL Number: MFCD00173682 InChI Key: MABWFAYFFNHAOF-UHFFFAOYSA-N Synonym: 4-acetoxy-7-methylindane,acmc-1c5pj,7-methylindan-4-yl acetate,7-methyl-2,3-dihydro-1h-inden-4-yl acetate,1h-inden-4-ol,2,3-dihydro-7-methyl-,4-acetate,1h-inden-4-ol,2,3-dihydro-7-methyl-, 4-acetate PubChem CID: 2775024 IUPAC Name: (7-methyl-2,3-dihydro-1H-inden-4-yl) acetate SMILES: CC(=O)OC1=CC=C(C)C2=C1CCC2
Methyl 3-amino-4-iodobenzoate, 97%
CAS: 412947-54-7 Molecular Formula: C8H8INO2 Molecular Weight (g/mol): 277.061 MDL Number: MFCD08064225 InChI Key: WJEBNIVVLJEIKE-UHFFFAOYSA-N Synonym: 3-amino-4-iodobenzoic acid methyl ester,benzoic acid, 3-amino-4-iodo-, methyl ester,methyl3-amino-4-iodobenzoate,pubchem10509,acmc-209ygt,ksc495i4l,methyl-3-amino-4-iodobenzoate,methyl 3-amino-4-iodo-benzoate,3-amino-4-iodo-benzoic acid methyl ester PubChem CID: 21628210 IUPAC Name: methyl 3-amino-4-iodobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)I)N
2-Methoxyhydroquinone, 97%
CAS: 824-46-4 Molecular Formula: C7H8O3 Molecular Weight (g/mol): 140.138 MDL Number: MFCD00013971 InChI Key: LAQYHRQFABOIFD-UHFFFAOYSA-N Synonym: 2-methoxyhydroquinone,methoxyhydroquinone,1,4-benzenediol, 2-methoxy,1,4-dihydroxy-2-methoxybenzene,unii-2hi6hnr5u1,2hi6hnr5u1,o-methoxyhydroquinone,2,5-dihydroxyanisole,2-mohydrop,acmc-209pp0 PubChem CID: 69988 IUPAC Name: 2-methoxybenzene-1,4-diol SMILES: COC1=C(C=CC(=C1)O)O
1-Bromo-4-n-octylbenzene, 97%
CAS: 51554-93-9 Molecular Formula: C14H21Br Molecular Weight (g/mol): 269.226 MDL Number: MFCD00038348 InChI Key: OOZQSVXPBCINJF-UHFFFAOYSA-N Synonym: 1-4-bromophenyl octane,1-bromo-4-n-octylbenzene,p-octylbromobenzene,p-bromophenyloctane,4-n-octylbromobenzene,1-p-bromophenyl octane,4-bromooctylbenzene,4-oct-1-yl bromobenzene,benzene, 1-bromo-4-octyl,4-bromo-1-octylbenzene PubChem CID: 142854 IUPAC Name: 1-bromo-4-octylbenzene SMILES: CCCCCCCCC1=CC=C(C=C1)Br
2-Amino-4,5-dimethoxybenzoic acid, 98%
CAS: 5653-40-7 Molecular Formula: C9H11NO4 Molecular Weight (g/mol): 197.19 MDL Number: MFCD00011671 InChI Key: HJVAVGOPTDJYOJ-UHFFFAOYSA-N Synonym: 4,5-dimethoxyanthranilic acid,6-aminoveratric acid,benzoic acid, 2-amino-4,5-dimethoxy,2-amino-4,5-dimethoxy benzoic acid,2-amino-4,5-dimethoxy-benzoic acid,6-aminoveratricacid,zlchem 238,pubchem3110,acmc-1b03r,ksc269i1n PubChem CID: 79736 IUPAC Name: 2-amino-4,5-dimethoxybenzoic acid SMILES: COC1=CC(N)=C(C=C1OC)C(O)=O
N-(4-tert-butylbenzyl)-N-methylamine, Thermo Scientific™
CAS: 65542-26-9 Molecular Formula: C12H19N Molecular Weight (g/mol): 177.291 InChI Key: ZSHCHOYJMLEAOX-UHFFFAOYSA-N Synonym: n-4-tert-butylbenzyl-n-methylamine,4-tert-butylphenyl methyl methyl amine,1-4-tert-butyl phenyl-n-methylmethanamine,1-4-tert-butylphenyl-n-methylmethanamine,4-tert-butylbenzylmethylamine,n-methyl-4-tert-butylbenzylamine,n-methyl-4-tert.butylbenzylamine,n-methyl 4-tert-butylbenzyl amine,4-tert-butyl phenyl methyl methylamine,benzenemethanamine,4-1,1-dimethylethyl-n-methyl PubChem CID: 2396874 IUPAC Name: 1-(4-tert-butylphenyl)-N-methylmethanamine SMILES: CC(C)(C)C1=CC=C(C=C1)CNC
2,6-Difluorobenzyl bromide, 96%
CAS: 85118-00-9 Molecular Formula: C7H5BrF2 Molecular Weight (g/mol): 207.02 MDL Number: MFCD00000329 InChI Key: LSXJPJGBWSZHTM-UHFFFAOYSA-N Synonym: 2,6-difluorobenzyl bromide,2-bromomethyl-1,3-difluorobenzene,2,6-difluorobenzylbromide,alpha-bromo-2,6-difluorotoluene,benzene, 2-bromomethyl-1,3-difluoro,timtec-bb sbb006564,2-bromomethyl-1,3-difluoro-benzene,fr cf b1e,pubchem4915,acmc-209q4j PubChem CID: 581435 IUPAC Name: 2-(bromomethyl)-1,3-difluorobenzene SMILES: FC1=CC=CC(F)=C1CBr
2-Bromo-4-nitrotoluene, 98%
CAS: 7745-93-9 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD00007195 InChI Key: XFZFJQHXWJIBQV-UHFFFAOYSA-N Synonym: 2-bromo-4-nitrotoluene,benzene, 2-bromo-1-methyl-4-nitro,3-bromo-4-methylnitrobenzene,toluene, 2-bromo-4-nitro,3-bromo-4-methyl nitrobenzene,1-bromo-2-methyl-5-nitrobenzene,2-bromo-1-methyl-4-nitro-benzene,pubchem3822,2-bromo-4nitrotoluene,2-bromo4-nitrotoluene PubChem CID: 82189 IUPAC Name: 2-bromo-1-methyl-4-nitrobenzene SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])Br