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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 (43,925)
Aminobenzoic acids and derivatives (12,864)
Benzyl Derivatives (11,526)
Methoxybenzoic acids and derivatives (6,938)
Fluorobenzenes (4,965)
Phenylpropenes (4,934)
Phenoxy compounds (3,048)
Methoxybenzenes (2,758)
Aniline and substituted anilines (2,478)
Trifluoromethylbenzenes (2,390)
Sulfanylbenzoic acids and derivatives (2,218)
Bromobenzenes (2,215)
Phenylmethylamines (1,963)
Phenylphosphines and derivatives (1,889)
Benzoyl derivatives (1,872)
Phenylhydrazines (1,864)
Benzenesulfonamides (1,738)
Phenylcarbamic acid esters (1,728)
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Benzoic acids (1,566)
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1 2-Dihalobenzenes (9)
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2,326 – 2,340 of 119,722 results
2,326
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1-Phenylsemicarbazide, 99%

CAS: 103-03-7 Molecular Formula: C7H9N3O Molecular Weight (g/mol): 151.17 MDL Number: MFCD00007942 InChI Key: AVKHCKXGKPAGEI-UHFFFAOYSA-N Synonym: phenicarbazide,1-phenylsemicarbazide,2-phenylhydrazinecarboxamide,phenicarbazid,phenylsemicarbazide,carbaphen,kryogenin,phenygenine,febrimin,1-carbamyl-2-phenylhydrazine PubChem CID: 61002 ChEBI: CHEBI:82521 IUPAC Name: anilinourea SMILES: NC(=O)NNC1=CC=CC=C1

PubChem CID 61002
CAS 103-03-7
Molecular Weight (g/mol) 151.17
ChEBI CHEBI:82521
MDL Number MFCD00007942
SMILES NC(=O)NNC1=CC=CC=C1
Synonym phenicarbazide,1-phenylsemicarbazide,2-phenylhydrazinecarboxamide,phenicarbazid,phenylsemicarbazide,carbaphen,kryogenin,phenygenine,febrimin,1-carbamyl-2-phenylhydrazine
IUPAC Name anilinourea
InChI Key AVKHCKXGKPAGEI-UHFFFAOYSA-N
Molecular Formula C7H9N3O
2,327
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4-(Chloromethyl)-1,2-diphenylethane, 98%

CAS: 80676-35-3 Molecular Formula: C15H15Cl Molecular Weight (g/mol): 230.74 MDL Number: MFCD02093918 InChI Key: KPTSLALCCGBCOB-UHFFFAOYSA-N Synonym: 4-chloromethyl dibenzyl,1-chloromethyl-4-phenethylbenzene,4-chloromethyl-1,2-diphenylethane,1-chloromethyl-4-2-phenylethyl benzene,4-chloromethyl bibenzyl,4-phenethylbenzyl chloride PubChem CID: 2733990 IUPAC Name: 1-(chloromethyl)-4-(2-phenylethyl)benzene SMILES: ClCC1=CC=C(CCC2=CC=CC=C2)C=C1

PubChem CID 2733990
CAS 80676-35-3
Molecular Weight (g/mol) 230.74
MDL Number MFCD02093918
SMILES ClCC1=CC=C(CCC2=CC=CC=C2)C=C1
Synonym 4-chloromethyl dibenzyl,1-chloromethyl-4-phenethylbenzene,4-chloromethyl-1,2-diphenylethane,1-chloromethyl-4-2-phenylethyl benzene,4-chloromethyl bibenzyl,4-phenethylbenzyl chloride
IUPAC Name 1-(chloromethyl)-4-(2-phenylethyl)benzene
InChI Key KPTSLALCCGBCOB-UHFFFAOYSA-N
Molecular Formula C15H15Cl
2,328
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3-Methoxyphenylacetone, 97%

CAS: 3027-13-2 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00008771 InChI Key: RMMRRRLPDBJBQL-UHFFFAOYSA-N Synonym: 3-methoxyphenylacetone,1-3-methoxyphenyl propan-2-one,1-3-methoxyphenyl acetone,3-methoxyphenyl acetone,m-methoxyphenyl acetone,m-methoxyphenylacetone,2-propanone, 1-3-methoxyphenyl,3-methoxyphenyl methyl ketone,acmc-1ai0k PubChem CID: 76410 IUPAC Name: 1-(3-methoxyphenyl)propan-2-one SMILES: COC1=CC=CC(CC(C)=O)=C1

PubChem CID 76410
CAS 3027-13-2
Molecular Weight (g/mol) 164.20
MDL Number MFCD00008771
SMILES COC1=CC=CC(CC(C)=O)=C1
Synonym 3-methoxyphenylacetone,1-3-methoxyphenyl propan-2-one,1-3-methoxyphenyl acetone,3-methoxyphenyl acetone,m-methoxyphenyl acetone,m-methoxyphenylacetone,2-propanone, 1-3-methoxyphenyl,3-methoxyphenyl methyl ketone,acmc-1ai0k
IUPAC Name 1-(3-methoxyphenyl)propan-2-one
InChI Key RMMRRRLPDBJBQL-UHFFFAOYSA-N
Molecular Formula C10H12O2
2,329
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2-Fluoro-4-iodoaniline, 99%

CAS: 29632-74-4 Molecular Formula: C6H5FIN Molecular Weight (g/mol): 237.016 MDL Number: MFCD00011738 InChI Key: CUMTUBVTKOYYOU-UHFFFAOYSA-N Synonym: 2-fluoro-4-iodo-phenylamine,benzenamine, 2-fluoro-4-iodo,2-fluoro-4-iodobenzenamine,2-fluoro-4-iodo aniline,2-fluoro-4-iodo-aniline,2-fluoro-4-iodophenylamine,zlchem 543,pubchem1532,2-fluoro4-iodoaniline,2-fluoro-4-iodaniline PubChem CID: 185694 IUPAC Name: 2-fluoro-4-iodoaniline SMILES: C1=CC(=C(C=C1I)F)N

PubChem CID 185694
CAS 29632-74-4
Molecular Weight (g/mol) 237.016
MDL Number MFCD00011738
SMILES C1=CC(=C(C=C1I)F)N
Synonym 2-fluoro-4-iodo-phenylamine,benzenamine, 2-fluoro-4-iodo,2-fluoro-4-iodobenzenamine,2-fluoro-4-iodo aniline,2-fluoro-4-iodo-aniline,2-fluoro-4-iodophenylamine,zlchem 543,pubchem1532,2-fluoro4-iodoaniline,2-fluoro-4-iodaniline
IUPAC Name 2-fluoro-4-iodoaniline
InChI Key CUMTUBVTKOYYOU-UHFFFAOYSA-N
Molecular Formula C6H5FIN
2,330
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2-Sulfobenzoic acid hydrate, 98%

CAS: 123333-68-6 Molecular Formula: C7H6O5S Molecular Weight (g/mol): 202.18 MDL Number: MFCD00007479 InChI Key: ZMPRRFPMMJQXPP-UHFFFAOYSA-N Synonym: 2-sulfobenzoic acid hydrate,benzoic acid, 2-sulfo-hydrate,acmc-20anmu,2-sulphobenzoic acid hydrate,c7h6o5s.h2o,2-sulfobenzoic acid, oxamethane,benzoic acid, 2-sulfo-, monohydrate PubChem CID: 24820382 IUPAC Name: 2-sulfobenzoic acid;hydrate SMILES: OC(=O)C1=CC=CC=C1S(O)(=O)=O

PubChem CID 24820382
CAS 123333-68-6
Molecular Weight (g/mol) 202.18
MDL Number MFCD00007479
SMILES OC(=O)C1=CC=CC=C1S(O)(=O)=O
Synonym 2-sulfobenzoic acid hydrate,benzoic acid, 2-sulfo-hydrate,acmc-20anmu,2-sulphobenzoic acid hydrate,c7h6o5s.h2o,2-sulfobenzoic acid, oxamethane,benzoic acid, 2-sulfo-, monohydrate
IUPAC Name 2-sulfobenzoic acid;hydrate
InChI Key ZMPRRFPMMJQXPP-UHFFFAOYSA-N
Molecular Formula C7H6O5S
2,331
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4-Acetamidobenzeneboronic acid, 96%

CAS: 101251-09-6 Molecular Formula: C8H10BNO3 Molecular Weight (g/mol): 178.98 MDL Number: MFCD02179451 InChI Key: VYEWTHXZHHATTA-UHFFFAOYSA-N Synonym: 4-acetylaminophenylboronic acid,4-acetamidophenyl boronic acid,p-acetamidophenylboronic acid,4-acetamidobenzeneboronic acid,4-acetamidophenyl-boronic acid,4-acetaminophenyl boronic acid,4-acetylaminophenyl boronic acid,4-acetylamino phenylboronic acid,boronic acid, 4-acetylamino phenyl PubChem CID: 2734657 IUPAC Name: (4-acetamidophenyl)boronic acid SMILES: CC(=O)NC1=CC=C(C=C1)B(O)O

PubChem CID 2734657
CAS 101251-09-6
Molecular Weight (g/mol) 178.98
MDL Number MFCD02179451
SMILES CC(=O)NC1=CC=C(C=C1)B(O)O
Synonym 4-acetylaminophenylboronic acid,4-acetamidophenyl boronic acid,p-acetamidophenylboronic acid,4-acetamidobenzeneboronic acid,4-acetamidophenyl-boronic acid,4-acetaminophenyl boronic acid,4-acetylaminophenyl boronic acid,4-acetylamino phenylboronic acid,boronic acid, 4-acetylamino phenyl
IUPAC Name (4-acetamidophenyl)boronic acid
InChI Key VYEWTHXZHHATTA-UHFFFAOYSA-N
Molecular Formula C8H10BNO3
2,332
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Sodium phenylpyruvate, 98%

CAS: 114-76-1 Molecular Formula: C9H7NaO3 Molecular Weight (g/mol): 186.142 MDL Number: MFCD00002590 InChI Key: MQGYVGKMCRDEAF-UHFFFAOYSA-M Synonym: sodium phenylpyruvate,phenylpyruvic acid sodium salt,sodium 2-oxo-3-phenylpropanoate,unii-7528cw33ww,sodium ?-phenylpyruvate,phenylpyruvic acid, sodium salt,l-phenyl pyruvic acid sodium salt,beta-phenylpyruvic acid sodium salt,2-oxo-3-phenylpropionic acid,3-phenyl-2-oxopropanoic acid, sodium salt PubChem CID: 23667645 IUPAC Name: sodium;2-oxo-3-phenylpropanoate SMILES: C1=CC=C(C=C1)CC(=O)C(=O)[O-].[Na+]

PubChem CID 23667645
CAS 114-76-1
Molecular Weight (g/mol) 186.142
MDL Number MFCD00002590
SMILES C1=CC=C(C=C1)CC(=O)C(=O)[O-].[Na+]
Synonym sodium phenylpyruvate,phenylpyruvic acid sodium salt,sodium 2-oxo-3-phenylpropanoate,unii-7528cw33ww,sodium ?-phenylpyruvate,phenylpyruvic acid, sodium salt,l-phenyl pyruvic acid sodium salt,beta-phenylpyruvic acid sodium salt,2-oxo-3-phenylpropionic acid,3-phenyl-2-oxopropanoic acid, sodium salt
IUPAC Name sodium;2-oxo-3-phenylpropanoate
InChI Key MQGYVGKMCRDEAF-UHFFFAOYSA-M
Molecular Formula C9H7NaO3
2,333
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4-Bromothiobenzamide, 97%

CAS: 26197-93-3 Molecular Formula: C7H6BrNS Molecular Weight (g/mol): 216.096 MDL Number: MFCD04114360 InChI Key: AIPANIYQEBQYGC-UHFFFAOYSA-N Synonym: 4-bromothiobenzamide,4-bromo-thiobenzamide,p-bromothiobenzamide,4-bromobenzothioamide,benzenecarbothioamide, 4-bromo,4-bromobenzene-1-carbothioamide,amino 4-bromophenyl methane-1-thione,acmc-1cehr,4-bromanylbenzenecarbothioamide PubChem CID: 1549289 IUPAC Name: 4-bromobenzenecarbothioamide SMILES: C1=CC(=CC=C1C(=S)N)Br

PubChem CID 1549289
CAS 26197-93-3
Molecular Weight (g/mol) 216.096
MDL Number MFCD04114360
SMILES C1=CC(=CC=C1C(=S)N)Br
Synonym 4-bromothiobenzamide,4-bromo-thiobenzamide,p-bromothiobenzamide,4-bromobenzothioamide,benzenecarbothioamide, 4-bromo,4-bromobenzene-1-carbothioamide,amino 4-bromophenyl methane-1-thione,acmc-1cehr,4-bromanylbenzenecarbothioamide
IUPAC Name 4-bromobenzenecarbothioamide
InChI Key AIPANIYQEBQYGC-UHFFFAOYSA-N
Molecular Formula C7H6BrNS
2,334
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Triphenyl borate, 97%

CAS: 1095-03-0 Molecular Formula: C18H15BO3 Molecular Weight (g/mol): 290.125 MDL Number: MFCD00059011 InChI Key: MDCWDBMBZLORER-UHFFFAOYSA-N Synonym: triphenoxyborane,phenyl borate,triphenoxyboron,boric acid, triphenyl ester,phenyl borate, pho 3 b,trifenylester kyseliny borite,boric acid h3bo3 , triphenyl ester,triphenyl ester boric acid,trifenylester kyseliny borite czech,boric acid triphenyl ester PubChem CID: 14182 IUPAC Name: triphenyl borate SMILES: B(OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3

PubChem CID 14182
CAS 1095-03-0
Molecular Weight (g/mol) 290.125
MDL Number MFCD00059011
SMILES B(OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3
Synonym triphenoxyborane,phenyl borate,triphenoxyboron,boric acid, triphenyl ester,phenyl borate, pho 3 b,trifenylester kyseliny borite,boric acid h3bo3 , triphenyl ester,triphenyl ester boric acid,trifenylester kyseliny borite czech,boric acid triphenyl ester
IUPAC Name triphenyl borate
InChI Key MDCWDBMBZLORER-UHFFFAOYSA-N
Molecular Formula C18H15BO3
2,335
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2,3,4,5,6-Pentafluorobenzeneboronic acid pinacol ester, 96%

CAS: 325142-81-2 Molecular Formula: C12H12BF5O2 Molecular Weight (g/mol): 294.028 MDL Number: MFCD12405352 InChI Key: FTJVUPKSBLYGSY-UHFFFAOYSA-N Synonym: 4,4,5,5-tetramethyl-2-perfluorophenyl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-pentafluorophenyl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-2,3,4,5,6-pentafluorophenyl-1,3,2-dioxaborolane,perfluorophenylboronic acid,pinacol ester,perfluorophenylbornic acid, pinacol ester,perfluorophenylboronic acid, pinacol ester,2,3,4,5,6-pentafluorobenzeneboronic acid pinacol ester,2,3,4,5,6-pentafluorophenylboronic acid pinacol ester,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-2,3,4,5,6-pentafluorophenyl,1-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl-2,3,4,5,6-pentafluorobenzene PubChem CID: 23065713 IUPAC Name: 4,4,5,5-tetramethyl-2-(2,3,4,5,6-pentafluorophenyl)-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C(=C2F)F)F)F)F

PubChem CID 23065713
CAS 325142-81-2
Molecular Weight (g/mol) 294.028
MDL Number MFCD12405352
SMILES B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C(=C2F)F)F)F)F
Synonym 4,4,5,5-tetramethyl-2-perfluorophenyl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-pentafluorophenyl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-2,3,4,5,6-pentafluorophenyl-1,3,2-dioxaborolane,perfluorophenylboronic acid,pinacol ester,perfluorophenylbornic acid, pinacol ester,perfluorophenylboronic acid, pinacol ester,2,3,4,5,6-pentafluorobenzeneboronic acid pinacol ester,2,3,4,5,6-pentafluorophenylboronic acid pinacol ester,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-2,3,4,5,6-pentafluorophenyl,1-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl-2,3,4,5,6-pentafluorobenzene
IUPAC Name 4,4,5,5-tetramethyl-2-(2,3,4,5,6-pentafluorophenyl)-1,3,2-dioxaborolane
InChI Key FTJVUPKSBLYGSY-UHFFFAOYSA-N
Molecular Formula C12H12BF5O2
2,336
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2-Fluoro-3-nitrobenzoic acid, 97%

CAS: 317-46-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD06797825 InChI Key: WLGUSLGYTNJJFV-UHFFFAOYSA-N Synonym: 2-fluoro-3-nitrobenzoic acid,2-fluoro-3-nitrobenzoicacid,2-fluoro-3-nitro benzoic acid,3-carboxy-2-fluoronitrobenzene,pubchem1398,acmc-1ajf3,ksc494k8n,benzoic acid,2-fluoro-3-nitro PubChem CID: 18672992 IUPAC Name: 2-fluoro-3-nitrobenzoic acid SMILES: OC(=O)C1=C(F)C(=CC=C1)[N+]([O-])=O

PubChem CID 18672992
CAS 317-46-4
Molecular Weight (g/mol) 185.11
MDL Number MFCD06797825
SMILES OC(=O)C1=C(F)C(=CC=C1)[N+]([O-])=O
Synonym 2-fluoro-3-nitrobenzoic acid,2-fluoro-3-nitrobenzoicacid,2-fluoro-3-nitro benzoic acid,3-carboxy-2-fluoronitrobenzene,pubchem1398,acmc-1ajf3,ksc494k8n,benzoic acid,2-fluoro-3-nitro
IUPAC Name 2-fluoro-3-nitrobenzoic acid
InChI Key WLGUSLGYTNJJFV-UHFFFAOYSA-N
Molecular Formula C7H4FNO4
2,337
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3-Benzyloxypyrrolidine, 96%

CAS: 420137-14-0 Molecular Formula: C11H15NO Molecular Weight (g/mol): 177.247 MDL Number: MFCD08060975 InChI Key: CWBMYKUPMLRKQK-UHFFFAOYSA-N Synonym: 3-benzyloxy pyrrolidine,3-benzyloxypyrrolidine,3-benzyloxy-pyrrolidine,3-phenylmethoxy pyrrolidine,benzyl pyrrolidin-3-yl ether,pyrrolidin-3-yl oxy methyl benzene PubChem CID: 14497353 IUPAC Name: 3-phenylmethoxypyrrolidine SMILES: C1CNCC1OCC2=CC=CC=C2

PubChem CID 14497353
CAS 420137-14-0
Molecular Weight (g/mol) 177.247
MDL Number MFCD08060975
SMILES C1CNCC1OCC2=CC=CC=C2
Synonym 3-benzyloxy pyrrolidine,3-benzyloxypyrrolidine,3-benzyloxy-pyrrolidine,3-phenylmethoxy pyrrolidine,benzyl pyrrolidin-3-yl ether,pyrrolidin-3-yl oxy methyl benzene
IUPAC Name 3-phenylmethoxypyrrolidine
InChI Key CWBMYKUPMLRKQK-UHFFFAOYSA-N
Molecular Formula C11H15NO
2,338

5-(2-Bromophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole, ≥97%, Thermo Scientific™

CAS: 906352-89-4 Molecular Formula: C11H8BrF3N2 Molecular Weight (g/mol): 305.098 MDL Number: MFCD09817512 InChI Key: UKDUPCWWWMHDRH-UHFFFAOYSA-N Synonym: 5-2-bromophenyl-1-methyl-3-trifluoromethyl-1h-pyrazole,5-2-bromophenyl-1-methyl-3-trifluoromethyl pyrazole PubChem CID: 24229660 IUPAC Name: 5-(2-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazole SMILES: CN1C(=CC(=N1)C(F)(F)F)C2=CC=CC=C2Br

PubChem CID 24229660
CAS 906352-89-4
Molecular Weight (g/mol) 305.098
MDL Number MFCD09817512
SMILES CN1C(=CC(=N1)C(F)(F)F)C2=CC=CC=C2Br
Synonym 5-2-bromophenyl-1-methyl-3-trifluoromethyl-1h-pyrazole,5-2-bromophenyl-1-methyl-3-trifluoromethyl pyrazole
IUPAC Name 5-(2-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazole
InChI Key UKDUPCWWWMHDRH-UHFFFAOYSA-N
Molecular Formula C11H8BrF3N2
2,339

3-(1H-Pyrazol-1-ylmethyl)benzylamine, 97%, Thermo Scientific™

CAS: 562803-76-3 Molecular Formula: C11H13N3 Molecular Weight (g/mol): 187.246 MDL Number: MFCD08572164 InChI Key: XKFHMAZBNKKNMT-UHFFFAOYSA-N Synonym: 3-1h-pyrazol-1-ylmethyl benzylamine,3-1h-pyrazol-1-ylmethyl phenyl methanamine,1-3-aminomethyl benzyl-1h-pyrazole,3-pyrazol-1-ylmethyl phenyl methanamine,1-3-pyrazol-1-ylmethyl phenyl methanamine,3-pyrazolylmethyl phenyl methylamine,3-1h-pyrazol-1-yl methyl benzylamine,3-1h-pyrazole-1-ylmethyl benzenemethanamine,benzenemethanamine,3-1h-pyrazol-1-ylmethyl,3-1h-pyrazol-1-yl methyl phenyl methanamine PubChem CID: 16640564 IUPAC Name: [3-(pyrazol-1-ylmethyl)phenyl]methanamine SMILES: C1=CC(=CC(=C1)CN)CN2C=CC=N2

PubChem CID 16640564
CAS 562803-76-3
Molecular Weight (g/mol) 187.246
MDL Number MFCD08572164
SMILES C1=CC(=CC(=C1)CN)CN2C=CC=N2
Synonym 3-1h-pyrazol-1-ylmethyl benzylamine,3-1h-pyrazol-1-ylmethyl phenyl methanamine,1-3-aminomethyl benzyl-1h-pyrazole,3-pyrazol-1-ylmethyl phenyl methanamine,1-3-pyrazol-1-ylmethyl phenyl methanamine,3-pyrazolylmethyl phenyl methylamine,3-1h-pyrazol-1-yl methyl benzylamine,3-1h-pyrazole-1-ylmethyl benzenemethanamine,benzenemethanamine,3-1h-pyrazol-1-ylmethyl,3-1h-pyrazol-1-yl methyl phenyl methanamine
IUPAC Name [3-(pyrazol-1-ylmethyl)phenyl]methanamine
InChI Key XKFHMAZBNKKNMT-UHFFFAOYSA-N
Molecular Formula C11H13N3
2,340
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Methyl 4-tert-butylbenzoate, 99%, Thermo Scientific™

CAS: 26537-19-9 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.26 MDL Number: MFCD00008835 InChI Key: UPIJOAFHOIWPLT-UHFFFAOYSA-N Synonym: methyl 4-tert-butyl benzoate,methyl p-tert-butylbenzoate,4-tert-butylbenzoic acid methyl ester,unii-8vk4o27jmt,benzoic acid, 4-1,1-dimethylethyl-, methyl ester,methyl 4-t-butylbenzoate,8vk4o27jmt,methyl4-tert-butylbenzoate,methyl p-t-butylbenzoate,benzoic acid, p-tert-butyl-, methyl ester PubChem CID: 97433 IUPAC Name: methyl 4-tert-butylbenzoate SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)OC

PubChem CID 97433
CAS 26537-19-9
Molecular Weight (g/mol) 192.26
MDL Number MFCD00008835
SMILES CC(C)(C)C1=CC=C(C=C1)C(=O)OC
Synonym methyl 4-tert-butyl benzoate,methyl p-tert-butylbenzoate,4-tert-butylbenzoic acid methyl ester,unii-8vk4o27jmt,benzoic acid, 4-1,1-dimethylethyl-, methyl ester,methyl 4-t-butylbenzoate,8vk4o27jmt,methyl4-tert-butylbenzoate,methyl p-t-butylbenzoate,benzoic acid, p-tert-butyl-, methyl ester
IUPAC Name methyl 4-tert-butylbenzoate
InChI Key UPIJOAFHOIWPLT-UHFFFAOYSA-N
Molecular Formula C12H16O2