Benzenoids
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4-Nitrobenzyl alcohol, 99%
CAS: 619-73-8 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007376 InChI Key: JKTYGPATCNUWKN-UHFFFAOYSA-N Synonym: 4-nitrobenzyl alcohol,4-nitrophenyl methanol,p-nitrobenzyl alcohol,benzenemethanol, 4-nitro,4-nitrobenzenemethanol,p-hydroxymethyl nitrobenzene,benzyl alcohol, p-nitro,paranitrobenzyl alcohol,4-nitrobenzylalcohol,unii-86btj68y9m PubChem CID: 69275 ChEBI: CHEBI:41214 IUPAC Name: (4-nitrophenyl)methanol SMILES: OCC1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 69275 |
|---|---|
| CAS | 619-73-8 |
| Molecular Weight (g/mol) | 153.14 |
| ChEBI | CHEBI:41214 |
| MDL Number | MFCD00007376 |
| SMILES | OCC1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | 4-nitrobenzyl alcohol,4-nitrophenyl methanol,p-nitrobenzyl alcohol,benzenemethanol, 4-nitro,4-nitrobenzenemethanol,p-hydroxymethyl nitrobenzene,benzyl alcohol, p-nitro,paranitrobenzyl alcohol,4-nitrobenzylalcohol,unii-86btj68y9m |
| IUPAC Name | (4-nitrophenyl)methanol |
| InChI Key | JKTYGPATCNUWKN-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
Triphenylmethyl chloride, 98%
CAS: 76-83-5 Molecular Formula: C19H15Cl Molecular Weight (g/mol): 278.78 MDL Number: MFCD00000813,MFCD00284810 InChI Key: JBWKIWSBJXDJDT-UHFFFAOYSA-N Synonym: trityl chloride,triphenylmethyl chloride,triphenylchloromethane,chlorotriphenylmethane,chloromethanetriyl tribenzene,triphenylmethylchloride,methane, chlorotriphenyl,triphenyl chloromethane,chlorodiphenylmethyl benzene,benzene, 1,1',1-chloromethylidyne tris PubChem CID: 6456 SMILES: ClC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 6456 |
|---|---|
| CAS | 76-83-5 |
| Molecular Weight (g/mol) | 278.78 |
| MDL Number | MFCD00000813,MFCD00284810 |
| SMILES | ClC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | trityl chloride,triphenylmethyl chloride,triphenylchloromethane,chlorotriphenylmethane,chloromethanetriyl tribenzene,triphenylmethylchloride,methane, chlorotriphenyl,triphenyl chloromethane,chlorodiphenylmethyl benzene,benzene, 1,1',1-chloromethylidyne tris |
| InChI Key | JBWKIWSBJXDJDT-UHFFFAOYSA-N |
| Molecular Formula | C19H15Cl |
Perylene, 98+%
CAS: 198-55-0 Molecular Formula: C20H12 Molecular Weight (g/mol): 252.316 MDL Number: MFCD00004142 InChI Key: CSHWQDPOILHKBI-UHFFFAOYSA-N Synonym: peri-dinaphthalene,perilene,dibenz de,kl anthracene,alpha-perylene,perylen,unii-5qd5427un7,ccris 1231,perylen-1-yl,perylen-2-yl PubChem CID: 9142 ChEBI: CHEBI:29861 IUPAC Name: perylene SMILES: C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2
| PubChem CID | 9142 |
|---|---|
| CAS | 198-55-0 |
| Molecular Weight (g/mol) | 252.316 |
| ChEBI | CHEBI:29861 |
| MDL Number | MFCD00004142 |
| SMILES | C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2 |
| Synonym | peri-dinaphthalene,perilene,dibenz de,kl anthracene,alpha-perylene,perylen,unii-5qd5427un7,ccris 1231,perylen-1-yl,perylen-2-yl |
| IUPAC Name | perylene |
| InChI Key | CSHWQDPOILHKBI-UHFFFAOYSA-N |
| Molecular Formula | C20H12 |
o-Dianisidine, 98+%
CAS: 119-90-4 Molecular Formula: C14H16N2O2 Molecular Weight (g/mol): 244.294 MDL Number: MFCD00008372 InChI Key: JRBJSXQPQWSCCF-UHFFFAOYSA-N Synonym: 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b PubChem CID: 8411 ChEBI: CHEBI:82321 IUPAC Name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N
| PubChem CID | 8411 |
|---|---|
| CAS | 119-90-4 |
| Molecular Weight (g/mol) | 244.294 |
| ChEBI | CHEBI:82321 |
| MDL Number | MFCD00008372 |
| SMILES | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N |
| Synonym | 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b |
| IUPAC Name | 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline |
| InChI Key | JRBJSXQPQWSCCF-UHFFFAOYSA-N |
| Molecular Formula | C14H16N2O2 |
2-Methylhydroquinone, 99%
CAS: 95-71-6 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00002345 InChI Key: CNHDIAIOKMXOLK-UHFFFAOYSA-N Synonym: methylhydroquinone,2-methylhydroquinone,2,5-dihydroxytoluene,p-toluhydroquinone,toluhydroquinone,toluquinol,p-toluquinol,tolylhydroquinone,p-toluhydroquinol,2,5-toluenediol PubChem CID: 7253 IUPAC Name: 2-methylbenzene-1,4-diol SMILES: CC1=CC(O)=CC=C1O
| PubChem CID | 7253 |
|---|---|
| CAS | 95-71-6 |
| Molecular Weight (g/mol) | 124.14 |
| MDL Number | MFCD00002345 |
| SMILES | CC1=CC(O)=CC=C1O |
| Synonym | methylhydroquinone,2-methylhydroquinone,2,5-dihydroxytoluene,p-toluhydroquinone,toluhydroquinone,toluquinol,p-toluquinol,tolylhydroquinone,p-toluhydroquinol,2,5-toluenediol |
| IUPAC Name | 2-methylbenzene-1,4-diol |
| InChI Key | CNHDIAIOKMXOLK-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2 |
DAPT
CAS: 208255-80-5 Molecular Formula: C23H26F2N2O4 Molecular Weight (g/mol): 432.468 MDL Number: MFCD04974585 InChI Key: DWJXYEABWRJFSP-XOBRGWDASA-N Synonym: dapt,dapt gsi-ix,gamma-secretase inhibitor ix,gsi-ix,insolution gamma-secretase inhibitor ix,s-tert-butyl 2-s-2-2-3,5-difluorophenyl acetamido propanamido-2-phenylacetate,n-n-3,5-difluorophenacetyl-l-alanyl-s-phenylglycine t-butyl ester,tert-butyl 2s-2-2s-2-2-3,5-difluorophenyl acetamido propanamido-2-phenylacetate,tert-butyl 2s-2-2s-2-2-3,5-difluorophenyl acetyl amino propanoyl amino-2-phenylacetate,gsiix PubChem CID: 5311272 ChEBI: CHEBI:86193 IUPAC Name: tert-butyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate SMILES: CC(C(=O)NC(C1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)CC2=CC(=CC(=C2)F)F
| PubChem CID | 5311272 |
|---|---|
| CAS | 208255-80-5 |
| Molecular Weight (g/mol) | 432.468 |
| ChEBI | CHEBI:86193 |
| MDL Number | MFCD04974585 |
| SMILES | CC(C(=O)NC(C1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)CC2=CC(=CC(=C2)F)F |
| Synonym | dapt,dapt gsi-ix,gamma-secretase inhibitor ix,gsi-ix,insolution gamma-secretase inhibitor ix,s-tert-butyl 2-s-2-2-3,5-difluorophenyl acetamido propanamido-2-phenylacetate,n-n-3,5-difluorophenacetyl-l-alanyl-s-phenylglycine t-butyl ester,tert-butyl 2s-2-2s-2-2-3,5-difluorophenyl acetamido propanamido-2-phenylacetate,tert-butyl 2s-2-2s-2-2-3,5-difluorophenyl acetyl amino propanoyl amino-2-phenylacetate,gsiix |
| IUPAC Name | tert-butyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate |
| InChI Key | DWJXYEABWRJFSP-XOBRGWDASA-N |
| Molecular Formula | C23H26F2N2O4 |
3-Fluorobenzyl bromide, 95%
CAS: 456-41-7 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.027 MDL Number: MFCD00000340 InChI Key: SCBZBMXPJYMXRC-UHFFFAOYSA-N Synonym: 3-fluorobenzyl bromide,1-bromomethyl-3-fluorobenzene,3-fluorobenzylbromide,m-fluorobenzyl bromide,benzene, 1-bromomethyl-3-fluoro,m-fluorobenzylbromide,alpha-bromo-m-fluorotoluene,alpha-bromo-3-fluorotoluene,toluene, .alpha.-bromo-m-fluoro,1-bromobenzyl-3-fluorobenzene PubChem CID: 68007 IUPAC Name: 1-(bromomethyl)-3-fluorobenzene SMILES: C1=CC(=CC(=C1)F)CBr
| PubChem CID | 68007 |
|---|---|
| CAS | 456-41-7 |
| Molecular Weight (g/mol) | 189.027 |
| MDL Number | MFCD00000340 |
| SMILES | C1=CC(=CC(=C1)F)CBr |
| Synonym | 3-fluorobenzyl bromide,1-bromomethyl-3-fluorobenzene,3-fluorobenzylbromide,m-fluorobenzyl bromide,benzene, 1-bromomethyl-3-fluoro,m-fluorobenzylbromide,alpha-bromo-m-fluorotoluene,alpha-bromo-3-fluorotoluene,toluene, .alpha.-bromo-m-fluoro,1-bromobenzyl-3-fluorobenzene |
| IUPAC Name | 1-(bromomethyl)-3-fluorobenzene |
| InChI Key | SCBZBMXPJYMXRC-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrF |
4-Formylbenzeneboronic acid, 97%
CAS: 87199-17-5 Molecular Formula: C7H7BO3 Molecular Weight (g/mol): 149.94 MDL Number: MFCD00151823 InChI Key: VXWBQOJISHAKKM-UHFFFAOYSA-N Synonym: 4-formylphenyl boronic acid,4-formylbenzeneboronic acid,4-boronobenzaldehyde,boronic acid, 4-formylphenyl,boronic acid, b-4-formylphenyl,p-formylphenylboronic acid,4-dihydroxyboryl benzaldehyde,4-dihydroxyboranyl benzaldehyde,4-benzaldehyde boronic acid,4-formyl-phenylboronic acid PubChem CID: 591073 IUPAC Name: (4-formylphenyl)boronic acid SMILES: OB(O)C1=CC=C(C=O)C=C1
| PubChem CID | 591073 |
|---|---|
| CAS | 87199-17-5 |
| Molecular Weight (g/mol) | 149.94 |
| MDL Number | MFCD00151823 |
| SMILES | OB(O)C1=CC=C(C=O)C=C1 |
| Synonym | 4-formylphenyl boronic acid,4-formylbenzeneboronic acid,4-boronobenzaldehyde,boronic acid, 4-formylphenyl,boronic acid, b-4-formylphenyl,p-formylphenylboronic acid,4-dihydroxyboryl benzaldehyde,4-dihydroxyboranyl benzaldehyde,4-benzaldehyde boronic acid,4-formyl-phenylboronic acid |
| IUPAC Name | (4-formylphenyl)boronic acid |
| InChI Key | VXWBQOJISHAKKM-UHFFFAOYSA-N |
| Molecular Formula | C7H7BO3 |
2,6-Di-tert-butyl-4-methylphenol, 99%
CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.35 MDL Number: MFCD00011644 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
| PubChem CID | 31404 |
|---|---|
| CAS | 128-37-0 |
| Molecular Weight (g/mol) | 220.35 |
| ChEBI | CHEBI:34247 |
| MDL Number | MFCD00011644 |
| SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
| Synonym | 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht |
| IUPAC Name | 2,6-ditert-butyl-4-methylphenol |
| InChI Key | NLZUEZXRPGMBCV-UHFFFAOYSA-N |
| Molecular Formula | C15H24O |
4-(4-Hydroxyphenyl)-2-butanone 99.0+%, TCI America™
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CAS: 5471-51-2 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00002394 InChI Key: NJGBTKGETPDVIK-UHFFFAOYSA-N Synonym: 4-4-hydroxyphenyl-2-butanone,raspberry ketone,4-4-hydroxyphenyl butan-2-one,frambinone,oxyphenalon,rheosmin,4-p-hydroxyphenyl-2-butanone,4-hydroxybenzylacetone,betuligenol,rasketone PubChem CID: 21648 ChEBI: CHEBI:68656 IUPAC Name: 4-(4-hydroxyphenyl)butan-2-one SMILES: CC(=O)CCC1=CC=C(C=C1)O
| PubChem CID | 21648 |
|---|---|
| CAS | 5471-51-2 |
| Molecular Weight (g/mol) | 164.204 |
| ChEBI | CHEBI:68656 |
| MDL Number | MFCD00002394 |
| SMILES | CC(=O)CCC1=CC=C(C=C1)O |
| Synonym | 4-4-hydroxyphenyl-2-butanone,raspberry ketone,4-4-hydroxyphenyl butan-2-one,frambinone,oxyphenalon,rheosmin,4-p-hydroxyphenyl-2-butanone,4-hydroxybenzylacetone,betuligenol,rasketone |
| IUPAC Name | 4-(4-hydroxyphenyl)butan-2-one |
| InChI Key | NJGBTKGETPDVIK-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
2-Hydroxy-1,4-naphthoquinone 98.0+%, TCI America™
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CAS: 83-72-7 Molecular Formula: C10H6O3 Molecular Weight (g/mol): 174.155 MDL Number: MFCD00001678 InChI Key: WVCHIGAIXREVNS-UHFFFAOYSA-N Synonym: lawsone,2-hydroxy-1,4-naphthoquinone,2-hydroxynaphthalene-1,4-dione,2-hydroxynaphthoquinone,henna,mehendi,hana,lawson,mendi,flower of paradise PubChem CID: 6755 IUPAC Name: 4-hydroxynaphthalene-1,2-dione SMILES: C1=CC=C2C(=C1)C(=CC(=O)C2=O)O
| PubChem CID | 6755 |
|---|---|
| CAS | 83-72-7 |
| Molecular Weight (g/mol) | 174.155 |
| MDL Number | MFCD00001678 |
| SMILES | C1=CC=C2C(=C1)C(=CC(=O)C2=O)O |
| Synonym | lawsone,2-hydroxy-1,4-naphthoquinone,2-hydroxynaphthalene-1,4-dione,2-hydroxynaphthoquinone,henna,mehendi,hana,lawson,mendi,flower of paradise |
| IUPAC Name | 4-hydroxynaphthalene-1,2-dione |
| InChI Key | WVCHIGAIXREVNS-UHFFFAOYSA-N |
| Molecular Formula | C10H6O3 |
Ethyl salicylate, 99%
CAS: 118-61-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002215 InChI Key: GYCKQBWUSACYIF-UHFFFAOYSA-N Synonym: ethyl salicylate,sal ethyl,mesotol,salotan,salicylic ether,salicylic acid, ethyl ester,benzoic acid, 2-hydroxy-, ethyl ester,ethyl o-hydroxybenzoate,o-ethoxycarbonyl phenol,2-hydroxybenzoic acid ethyl ester PubChem CID: 8365 IUPAC Name: ethyl 2-hydroxybenzoate SMILES: CCOC(=O)C1=CC=CC=C1O
| PubChem CID | 8365 |
|---|---|
| CAS | 118-61-6 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00002215 |
| SMILES | CCOC(=O)C1=CC=CC=C1O |
| Synonym | ethyl salicylate,sal ethyl,mesotol,salotan,salicylic ether,salicylic acid, ethyl ester,benzoic acid, 2-hydroxy-, ethyl ester,ethyl o-hydroxybenzoate,o-ethoxycarbonyl phenol,2-hydroxybenzoic acid ethyl ester |
| IUPAC Name | ethyl 2-hydroxybenzoate |
| InChI Key | GYCKQBWUSACYIF-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Dimethyl terephthalate, 99%
CAS: 120-61-6 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00008440 InChI Key: WOZVHXUHUFLZGK-UHFFFAOYSA-N Synonym: dimethyl terephthalate,dimethyl p-phthalate,1,4-benzenedicarboxylic acid, dimethyl ester,dimethyl p-benzenedicarboxylate,di-me terephthalate,dimethyl 4-phthalate,terephthalic acid, dimethyl ester,dimethyl 1,4-benzenedicarboxylate,terephthalic acid dimethyl ester,methyl p-methoxycarbonyl benzoate PubChem CID: 8441 SMILES: COC(=O)C1=CC=C(C=C1)C(=O)OC
| PubChem CID | 8441 |
|---|---|
| CAS | 120-61-6 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD00008440 |
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)OC |
| Synonym | dimethyl terephthalate,dimethyl p-phthalate,1,4-benzenedicarboxylic acid, dimethyl ester,dimethyl p-benzenedicarboxylate,di-me terephthalate,dimethyl 4-phthalate,terephthalic acid, dimethyl ester,dimethyl 1,4-benzenedicarboxylate,terephthalic acid dimethyl ester,methyl p-methoxycarbonyl benzoate |
| InChI Key | WOZVHXUHUFLZGK-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
4-Fluorobenzyl bromide, 97%
CAS: 459-46-1 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.03 MDL Number: MFCD00000359 InChI Key: NVNPLEPBDPJYRZ-UHFFFAOYSA-N Synonym: 4-fluorobenzyl bromide,1-bromomethyl-4-fluorobenzene,p-fluorobenzyl bromide,4-fluorobenzylbromide,benzene, 1-bromomethyl-4-fluoro,alpha-bromo-p-fluorotoluene,alpha-bromo-4-fluorotoluene,1-bromomethyl-4-fluoro-benzene,4-bromomethyl-1-fluorobenzene,para-fluorobenzyl bromide PubChem CID: 68021 IUPAC Name: 1-(bromomethyl)-4-fluorobenzene SMILES: FC1=CC=C(CBr)C=C1
| PubChem CID | 68021 |
|---|---|
| CAS | 459-46-1 |
| Molecular Weight (g/mol) | 189.03 |
| MDL Number | MFCD00000359 |
| SMILES | FC1=CC=C(CBr)C=C1 |
| Synonym | 4-fluorobenzyl bromide,1-bromomethyl-4-fluorobenzene,p-fluorobenzyl bromide,4-fluorobenzylbromide,benzene, 1-bromomethyl-4-fluoro,alpha-bromo-p-fluorotoluene,alpha-bromo-4-fluorotoluene,1-bromomethyl-4-fluoro-benzene,4-bromomethyl-1-fluorobenzene,para-fluorobenzyl bromide |
| IUPAC Name | 1-(bromomethyl)-4-fluorobenzene |
| InChI Key | NVNPLEPBDPJYRZ-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrF |
2-Bromo-1,3,5-triisopropylbenzene 95.0+%, TCI America™
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CAS: 21524-34-5 Molecular Formula: C15H23Br Molecular Weight (g/mol): 283.253 MDL Number: MFCD00051547 InChI Key: FUMMYHVKFAHQST-UHFFFAOYSA-N Synonym: 2-bromo-1,3,5-triisopropylbenzene,1-bromo-2,4,6-triisopropylbenzene,2,4,6-triisopropylbromobenzene,1,3,5-triisopropyl-2-bromobenzene,2-bromo-1,3,5-tris propan-2-yl benzene,2-bromo-1,3,5-triisopropyl-benzene,2-bromo-1,3,5-tri propan-2-yl benzene,benzene, 2-bromo-1,3,5-tris 1-methylethyl,2-bromo-1,3,5-tris 1-methylethyl-benzene,acmc-209flf PubChem CID: 140846 IUPAC Name: 2-bromo-1,3,5-tri(propan-2-yl)benzene SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)Br)C(C)C
| PubChem CID | 140846 |
|---|---|
| CAS | 21524-34-5 |
| Molecular Weight (g/mol) | 283.253 |
| MDL Number | MFCD00051547 |
| SMILES | CC(C)C1=CC(=C(C(=C1)C(C)C)Br)C(C)C |
| Synonym | 2-bromo-1,3,5-triisopropylbenzene,1-bromo-2,4,6-triisopropylbenzene,2,4,6-triisopropylbromobenzene,1,3,5-triisopropyl-2-bromobenzene,2-bromo-1,3,5-tris propan-2-yl benzene,2-bromo-1,3,5-triisopropyl-benzene,2-bromo-1,3,5-tri propan-2-yl benzene,benzene, 2-bromo-1,3,5-tris 1-methylethyl,2-bromo-1,3,5-tris 1-methylethyl-benzene,acmc-209flf |
| IUPAC Name | 2-bromo-1,3,5-tri(propan-2-yl)benzene |
| InChI Key | FUMMYHVKFAHQST-UHFFFAOYSA-N |
| Molecular Formula | C15H23Br |