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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Hydroxybenzoic Acid Derivatives (18,478)
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3,316 – 3,330 of 64,662 results
3,316
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3-Methoxyphenylacetonitrile, 99%

CAS: 19924-43-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00001910 InChI Key: LXKNAUOWEJWGTE-UHFFFAOYSA-N Synonym: 3-methoxyphenyl acetonitrile,2-3-methoxyphenyl acetonitrile,3-methoxyphenylacetonitrile,3-methoxybenzyl cyanide,m-methoxyphenyl acetonitrile,3-cyanomethyl anisole,benzeneacetonitrile, 3-methoxy,3-methoxybenzeneacetonitrile,m-methoxybenzyl cyanide,2-3-methoxyphenyl ethanenitrile PubChem CID: 88310 IUPAC Name: 2-(3-methoxyphenyl)acetonitrile SMILES: COC1=CC=CC(=C1)CC#N

PubChem CID 88310
CAS 19924-43-7
Molecular Weight (g/mol) 147.177
MDL Number MFCD00001910
SMILES COC1=CC=CC(=C1)CC#N
Synonym 3-methoxyphenyl acetonitrile,2-3-methoxyphenyl acetonitrile,3-methoxyphenylacetonitrile,3-methoxybenzyl cyanide,m-methoxyphenyl acetonitrile,3-cyanomethyl anisole,benzeneacetonitrile, 3-methoxy,3-methoxybenzeneacetonitrile,m-methoxybenzyl cyanide,2-3-methoxyphenyl ethanenitrile
IUPAC Name 2-(3-methoxyphenyl)acetonitrile
InChI Key LXKNAUOWEJWGTE-UHFFFAOYSA-N
Molecular Formula C9H9NO
3,317
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2,4,6-Trimethoxybenzyl alcohol, 97%

CAS: 61040-78-6 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.218 MDL Number: MFCD00060356 InChI Key: CFXXBVNHYJQNKS-UHFFFAOYSA-N PubChem CID: 602515 IUPAC Name: (2,4,6-trimethoxyphenyl)methanol SMILES: COC1=CC(=C(C(=C1)OC)CO)OC

PubChem CID 602515
CAS 61040-78-6
Molecular Weight (g/mol) 198.218
MDL Number MFCD00060356
SMILES COC1=CC(=C(C(=C1)OC)CO)OC
IUPAC Name (2,4,6-trimethoxyphenyl)methanol
InChI Key CFXXBVNHYJQNKS-UHFFFAOYSA-N
Molecular Formula C10H14O4
3,318
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4-(Hydroxymethyl)benzeneboronic acid pinacol ester

CAS: 302348-51-2 Molecular Formula: C13H19BO3 Molecular Weight (g/mol): 234.102 MDL Number: MFCD09837617 InChI Key: GZZBZWITJNATOD-UHFFFAOYSA-N Synonym: 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanol,4-hydroxymethyl phenylboronic acid pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanol,4-hydroxymethylphenylboronic acid pinacol ester,4-hydroxymethyl benzeneboronic acid pinacol ester,2-4-hydroxymethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,benzenemethanol, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl alcohol,amtb135 PubChem CID: 11402050 IUPAC Name: [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CO

PubChem CID 11402050
CAS 302348-51-2
Molecular Weight (g/mol) 234.102
MDL Number MFCD09837617
SMILES B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CO
Synonym 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanol,4-hydroxymethyl phenylboronic acid pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanol,4-hydroxymethylphenylboronic acid pinacol ester,4-hydroxymethyl benzeneboronic acid pinacol ester,2-4-hydroxymethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,benzenemethanol, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl alcohol,amtb135
IUPAC Name [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
InChI Key GZZBZWITJNATOD-UHFFFAOYSA-N
Molecular Formula C13H19BO3
3,319

[4-(2-Furyl)phenyl]methanol, ≥97%, Thermo Scientific™

CAS: 17920-85-3 Molecular Formula: C11H10O2 Molecular Weight (g/mol): 174.20 MDL Number: MFCD06203036 InChI Key: IKZLKNNNCKXCKP-UHFFFAOYSA-N Synonym: 4-2-furyl phenyl methanol,4-furan-2-yl phenyl methanol,4-fur-2-yl phenyl methanol,4-furan-2-yl benzyl alcohol,4-2-furyl phenyl methan-1-ol PubChem CID: 7537506 IUPAC Name: [4-(furan-2-yl)phenyl]methanol SMILES: OCC1=CC=C(C=C1)C1=CC=CO1

PubChem CID 7537506
CAS 17920-85-3
Molecular Weight (g/mol) 174.20
MDL Number MFCD06203036
SMILES OCC1=CC=C(C=C1)C1=CC=CO1
Synonym 4-2-furyl phenyl methanol,4-furan-2-yl phenyl methanol,4-fur-2-yl phenyl methanol,4-furan-2-yl benzyl alcohol,4-2-furyl phenyl methan-1-ol
IUPAC Name [4-(furan-2-yl)phenyl]methanol
InChI Key IKZLKNNNCKXCKP-UHFFFAOYSA-N
Molecular Formula C11H10O2
3,320
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2-Bromobenzaldehyde, 97%

CAS: 6630-33-7 Molecular Formula: C7H5BrO Molecular Weight (g/mol): 185.02 MDL Number: MFCD00003300 InChI Key: NDOPHXWIAZIXPR-UHFFFAOYSA-N Synonym: o-bromobenzaldehyde,benzaldehyde, 2-bromo,benzaldehyde, o-bromo,2-bromo benzaldehyde,bromobenzaldehyde,bromo benzaldehyde,o-bromo-benzaldehyde,2-formylbromobenzene,2-bromo-benzaldehyde,benzaldehyde, bromo PubChem CID: 81129 IUPAC Name: 2-bromobenzaldehyde SMILES: BrC1=CC=CC=C1C=O

PubChem CID 81129
CAS 6630-33-7
Molecular Weight (g/mol) 185.02
MDL Number MFCD00003300
SMILES BrC1=CC=CC=C1C=O
Synonym o-bromobenzaldehyde,benzaldehyde, 2-bromo,benzaldehyde, o-bromo,2-bromo benzaldehyde,bromobenzaldehyde,bromo benzaldehyde,o-bromo-benzaldehyde,2-formylbromobenzene,2-bromo-benzaldehyde,benzaldehyde, bromo
IUPAC Name 2-bromobenzaldehyde
InChI Key NDOPHXWIAZIXPR-UHFFFAOYSA-N
Molecular Formula C7H5BrO
3,321
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Benzoylformic acid, 97%

CAS: 611-73-4 Molecular Formula: C8H6O3 Molecular Weight (g/mol): 150.13 MDL Number: MFCD00002575 InChI Key: FAQJJMHZNSSFSM-UHFFFAOYSA-N Synonym: benzoylformic acid,phenylglyoxylic acid,oxophenylacetic acid,benzeneglyoxylic acid,phenylgloxylic acid,2-phenylethanoic acid,oxo phenyl acetic acid,benzoylformate,phenylglyoxalate,phenyloxoacetic acid PubChem CID: 11915 ChEBI: CHEBI:18280 IUPAC Name: 2-oxo-2-phenylacetic acid SMILES: OC(=O)C(=O)C1=CC=CC=C1

PubChem CID 11915
CAS 611-73-4
Molecular Weight (g/mol) 150.13
ChEBI CHEBI:18280
MDL Number MFCD00002575
SMILES OC(=O)C(=O)C1=CC=CC=C1
Synonym benzoylformic acid,phenylglyoxylic acid,oxophenylacetic acid,benzeneglyoxylic acid,phenylgloxylic acid,2-phenylethanoic acid,oxo phenyl acetic acid,benzoylformate,phenylglyoxalate,phenyloxoacetic acid
IUPAC Name 2-oxo-2-phenylacetic acid
InChI Key FAQJJMHZNSSFSM-UHFFFAOYSA-N
Molecular Formula C8H6O3
3,322
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4-tert-Butylphenol, 97%

CAS: 98-54-4 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00002367 InChI Key: QHPQWRBYOIRBIT-UHFFFAOYSA-N Synonym: 4-tert-butyl phenol,butylphen,p-tert-butylphenol,ptbp,4-1,1-dimethylethyl phenol,4-t-butylphenol,p-t-butyl phenol,phenol, 4-1,1-dimethylethyl,p-t-butylphenol,p-terc.butylfenol PubChem CID: 7393 ChEBI: CHEBI:34444 IUPAC Name: 4-tert-butylphenol SMILES: CC(C)(C)C1=CC=C(C=C1)O

PubChem CID 7393
CAS 98-54-4
Molecular Weight (g/mol) 150.22
ChEBI CHEBI:34444
MDL Number MFCD00002367
SMILES CC(C)(C)C1=CC=C(C=C1)O
Synonym 4-tert-butyl phenol,butylphen,p-tert-butylphenol,ptbp,4-1,1-dimethylethyl phenol,4-t-butylphenol,p-t-butyl phenol,phenol, 4-1,1-dimethylethyl,p-t-butylphenol,p-terc.butylfenol
IUPAC Name 4-tert-butylphenol
InChI Key QHPQWRBYOIRBIT-UHFFFAOYSA-N
Molecular Formula C10H14O
3,323
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Fluconazole, USP, 98-102%, Spectrum™ Chemical
SDP

CAS: 86386-73-4 Molecular Formula: C13H12F2N6O Molecular Weight (g/mol): 306.28 InChI Key: RFHAOTPXVQNOHP-UHFFFAOYSA-N IUPAC Name: 2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol SMILES: OC(CN1C=NC=N1)(CN1C=NC=N1)C1=CC=C(F)C=C1F

CAS 86386-73-4
Molecular Weight (g/mol) 306.28
SMILES OC(CN1C=NC=N1)(CN1C=NC=N1)C1=CC=C(F)C=C1F
IUPAC Name 2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol
InChI Key RFHAOTPXVQNOHP-UHFFFAOYSA-N
Molecular Formula C13H12F2N6O
3,324
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2-Bromo-5-methylbenzotrifluoride, 98%, Thermo Scientific Chemicals

CAS: 261952-20-9 Molecular Formula: C8H6BrF3 Molecular Weight (g/mol): 239.035 MDL Number: MFCD01631586 InChI Key: WXXDBPIOFOYRLP-UHFFFAOYSA-N Synonym: 2-bromo-5-methylbenzotrifluoride,1-bromo-4-methyl-2-trifluoromethyl benzene,4-bromo-3-trifluoromethyl toluene,4-bromo-alpha,alpha,alpha-trifluoro-m-xylene,4-methyl-2-trifluoromethyl bromobenzene,pubchem23748,4-bromo-3-trifluoromethyltoluene,1-bromo-4-methyl-2-trifluoromethyl-benzene,1-bromanyl-4-methyl-2-trifluoromethyl benzene,benzene,1-bromo-4-methyl-2-trifluoromethyl PubChem CID: 2779339 IUPAC Name: 1-bromo-4-methyl-2-(trifluoromethyl)benzene SMILES: CC1=CC(=C(C=C1)Br)C(F)(F)F

PubChem CID 2779339
CAS 261952-20-9
Molecular Weight (g/mol) 239.035
MDL Number MFCD01631586
SMILES CC1=CC(=C(C=C1)Br)C(F)(F)F
Synonym 2-bromo-5-methylbenzotrifluoride,1-bromo-4-methyl-2-trifluoromethyl benzene,4-bromo-3-trifluoromethyl toluene,4-bromo-alpha,alpha,alpha-trifluoro-m-xylene,4-methyl-2-trifluoromethyl bromobenzene,pubchem23748,4-bromo-3-trifluoromethyltoluene,1-bromo-4-methyl-2-trifluoromethyl-benzene,1-bromanyl-4-methyl-2-trifluoromethyl benzene,benzene,1-bromo-4-methyl-2-trifluoromethyl
IUPAC Name 1-bromo-4-methyl-2-(trifluoromethyl)benzene
InChI Key WXXDBPIOFOYRLP-UHFFFAOYSA-N
Molecular Formula C8H6BrF3
3,325
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alpha,alpha'-Dibromo-p-xylene, 97%

CAS: 623-24-5 Molecular Formula: C8H8Br2 Molecular Weight (g/mol): 263.95 MDL Number: MFCD00000182 InChI Key: RBZMSGOBSOCYHR-UHFFFAOYSA-N Synonym: 1,4-bis bromomethyl benzene,p-xylylene dibromide,alpha,alpha'-dibromo-p-xylene,benzene, 1,4-bis bromomethyl,p-xylylene bromide,p-bromomethyl benzene,1,4-dibromomethylbenzene,p-bis bromomethyl benzene,1,4-bis-bromomethyl-benzene,ccris 1775 PubChem CID: 69335 IUPAC Name: 1,4-bis(bromomethyl)benzene SMILES: C1=CC(=CC=C1CBr)CBr

PubChem CID 69335
CAS 623-24-5
Molecular Weight (g/mol) 263.95
MDL Number MFCD00000182
SMILES C1=CC(=CC=C1CBr)CBr
Synonym 1,4-bis bromomethyl benzene,p-xylylene dibromide,alpha,alpha'-dibromo-p-xylene,benzene, 1,4-bis bromomethyl,p-xylylene bromide,p-bromomethyl benzene,1,4-dibromomethylbenzene,p-bis bromomethyl benzene,1,4-bis-bromomethyl-benzene,ccris 1775
IUPAC Name 1,4-bis(bromomethyl)benzene
InChI Key RBZMSGOBSOCYHR-UHFFFAOYSA-N
Molecular Formula C8H8Br2
3,326
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3-(4-Bromophenyl)-1-propanol, 98%

CAS: 25574-11-2 Molecular Formula: C9H11BrO Molecular Weight (g/mol): 215.09 MDL Number: MFCD09028724 InChI Key: WODKXGCVVOOEIJ-UHFFFAOYSA-N Synonym: 3-4-bromophenyl propan-1-ol,4-bromobenzenepropanol,3-4-bromo-phenyl-propan-1-ol,benzenepropanol, 4-bromo,3-4-bromophenyl-1-propanol,pubchem3984,3-4-bromophenyl propanol,3-4-bromophenyl-propanol,amth183,3-4-bromophenyl propyl alcohol PubChem CID: 10560614 IUPAC Name: 3-(4-bromophenyl)propan-1-ol SMILES: C1=CC(=CC=C1CCCO)Br

PubChem CID 10560614
CAS 25574-11-2
Molecular Weight (g/mol) 215.09
MDL Number MFCD09028724
SMILES C1=CC(=CC=C1CCCO)Br
Synonym 3-4-bromophenyl propan-1-ol,4-bromobenzenepropanol,3-4-bromo-phenyl-propan-1-ol,benzenepropanol, 4-bromo,3-4-bromophenyl-1-propanol,pubchem3984,3-4-bromophenyl propanol,3-4-bromophenyl-propanol,amth183,3-4-bromophenyl propyl alcohol
IUPAC Name 3-(4-bromophenyl)propan-1-ol
InChI Key WODKXGCVVOOEIJ-UHFFFAOYSA-N
Molecular Formula C9H11BrO
3,327
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4-Fluoro-3-(methylcarbamoyl)benzeneboronic acid, 96%

CAS: 874219-19-9 Molecular Formula: C8H9BFNO3 Molecular Weight (g/mol): 196.97 MDL Number: MFCD08235038 InChI Key: DVDSMLPVTUSIFM-UHFFFAOYSA-N Synonym: 4-fluoro-3-methylcarbamoyl phenyl boronic acid,4-fluoro-3-methylcarbamoyl phenylboronic acid,4-fluoro-3-methylcarbamoyl benzeneboronic acid,acmc-209qkk,n-methyl 5-borono-2-fluorobenzamide,4-fluoro-3-methylcarbamoyl phenyl boronicacid,4-fluoro-3-methyl carbamoyl phenylboronic acid,4-fluoranyl-3-methylcarbamoyl phenyl boronic acid,boronic acid, 4-fluoro-3-methylamino carbonyl phenyl PubChem CID: 44717580 IUPAC Name: [4-fluoro-3-(methylcarbamoyl)phenyl]boronic acid SMILES: CNC(=O)C1=C(F)C=CC(=C1)B(O)O

PubChem CID 44717580
CAS 874219-19-9
Molecular Weight (g/mol) 196.97
MDL Number MFCD08235038
SMILES CNC(=O)C1=C(F)C=CC(=C1)B(O)O
Synonym 4-fluoro-3-methylcarbamoyl phenyl boronic acid,4-fluoro-3-methylcarbamoyl phenylboronic acid,4-fluoro-3-methylcarbamoyl benzeneboronic acid,acmc-209qkk,n-methyl 5-borono-2-fluorobenzamide,4-fluoro-3-methylcarbamoyl phenyl boronicacid,4-fluoro-3-methyl carbamoyl phenylboronic acid,4-fluoranyl-3-methylcarbamoyl phenyl boronic acid,boronic acid, 4-fluoro-3-methylamino carbonyl phenyl
IUPAC Name [4-fluoro-3-(methylcarbamoyl)phenyl]boronic acid
InChI Key DVDSMLPVTUSIFM-UHFFFAOYSA-N
Molecular Formula C8H9BFNO3
3,328
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Methyl 4-bromobenzoate, 99%

CAS: 619-42-1 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00013531 InChI Key: CZNGTXVOZOWWKM-UHFFFAOYSA-N Synonym: benzoic acid, 4-bromo-, methyl ester,methyl p-bromobenzoate,4-bromobenzoic acid methyl ester,p-bromobenzoic acid, methyl ester,unii-ub1ysj5xar,ub1ysj5xar,benzoic acid, p-bromo-, methyl ester,pubchem3962,methyl-4-bromobenzoate,methyl p-bromo benzoate PubChem CID: 12081 IUPAC Name: methyl 4-bromobenzoate SMILES: COC(=O)C1=CC=C(C=C1)Br

PubChem CID 12081
CAS 619-42-1
Molecular Weight (g/mol) 215.05
MDL Number MFCD00013531
SMILES COC(=O)C1=CC=C(C=C1)Br
Synonym benzoic acid, 4-bromo-, methyl ester,methyl p-bromobenzoate,4-bromobenzoic acid methyl ester,p-bromobenzoic acid, methyl ester,unii-ub1ysj5xar,ub1ysj5xar,benzoic acid, p-bromo-, methyl ester,pubchem3962,methyl-4-bromobenzoate,methyl p-bromo benzoate
IUPAC Name methyl 4-bromobenzoate
InChI Key CZNGTXVOZOWWKM-UHFFFAOYSA-N
Molecular Formula C8H7BrO2
3,329
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Propylparaben, NF, BP, EP, 98-102%, Spectrum™ Chemical
SDP

CAS: 94-13-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 InChI Key: QELSKZZBTMNZEB-UHFFFAOYSA-N IUPAC Name: propyl 4-hydroxybenzoate SMILES: CCCOC(=O)C1=CC=C(O)C=C1

CAS 94-13-3
Molecular Weight (g/mol) 180.20
SMILES CCCOC(=O)C1=CC=C(O)C=C1
IUPAC Name propyl 4-hydroxybenzoate
InChI Key QELSKZZBTMNZEB-UHFFFAOYSA-N
Molecular Formula C10H12O3
3,330
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Cholesteryl benzoate, 98%

CAS: 604-32-0 Molecular Formula: C34H50O2 Molecular Weight (g/mol): 490.77 MDL Number: MFCD00003635 InChI Key: UVZUFUGNHDDLRQ-UHFFFAOYNA-N Synonym: cholesteryl benzoate,cholesterol benzoate,3b-benzoyloxy cholest-5-ene,unii-n09h13shlb,n09h13shlb,cholest-5-ene-3-beta-yl benzoate,cholest-5-en-3-ol 3.beta.-, benzoate,5-cholesten-3.beta.-ol benzoate,cholest-5-en-3-ol 3beta-, benzoate PubChem CID: 2723613 SMILES: CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C1=CC=CC=C1

PubChem CID 2723613
CAS 604-32-0
Molecular Weight (g/mol) 490.77
MDL Number MFCD00003635
SMILES CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C1=CC=CC=C1
Synonym cholesteryl benzoate,cholesterol benzoate,3b-benzoyloxy cholest-5-ene,unii-n09h13shlb,n09h13shlb,cholest-5-ene-3-beta-yl benzoate,cholest-5-en-3-ol 3.beta.-, benzoate,5-cholesten-3.beta.-ol benzoate,cholest-5-en-3-ol 3beta-, benzoate
InChI Key UVZUFUGNHDDLRQ-UHFFFAOYNA-N
Molecular Formula C34H50O2