Benzenoids
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N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methylglycine 98.0+%, TCI America™
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CAS: 77128-70-2 Molecular Formula: C18H19NO5 Molecular Weight (g/mol): 329.352 MDL Number: MFCD00151926 InChI Key: CUJSWOOWOONPRH-UHFFFAOYSA-N Synonym: fmoc-sarcosine monohydrate,fmoc-sarcosine hydrate,2-9h-fluoren-9-yl methoxy carbonyl methyl amino acetic acid hydrate,9h-fluoren-9-ylmethoxy carbonyl methyl amino acetic acid hydrate,2-9h-fluoren-9-ylmethoxycarbonyl methyl amino acetic acid;hydrate,fmoc-sarcosinehydrate,ksc915q4d,n-9h-fluoren-9-yl methoxy carbonyl-n-methylglycine-water 1/1 PubChem CID: 56763849 IUPAC Name: 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid;hydrate SMILES: CN(CC(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13.O
| PubChem CID | 56763849 |
|---|---|
| CAS | 77128-70-2 |
| Molecular Weight (g/mol) | 329.352 |
| MDL Number | MFCD00151926 |
| SMILES | CN(CC(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13.O |
| Synonym | fmoc-sarcosine monohydrate,fmoc-sarcosine hydrate,2-9h-fluoren-9-yl methoxy carbonyl methyl amino acetic acid hydrate,9h-fluoren-9-ylmethoxy carbonyl methyl amino acetic acid hydrate,2-9h-fluoren-9-ylmethoxycarbonyl methyl amino acetic acid;hydrate,fmoc-sarcosinehydrate,ksc915q4d,n-9h-fluoren-9-yl methoxy carbonyl-n-methylglycine-water 1/1 |
| IUPAC Name | 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid;hydrate |
| InChI Key | CUJSWOOWOONPRH-UHFFFAOYSA-N |
| Molecular Formula | C18H19NO5 |
3-Bromotoluene 98.0+%, TCI America™
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CAS: 591-17-3 Molecular Formula: C7H7Br Molecular Weight (g/mol): 171.04 MDL Number: MFCD00000085 InChI Key: WJIFKOVZNJTSGO-UHFFFAOYSA-N Synonym: 3-bromotoluene,m-bromotoluene,3-methylbromobenzene,benzene, 1-bromo-3-methyl,m-tolyl bromide,toluene, m-bromo,5-bromotoluene,3-bromo-1-methylbenzene,m-methylbromobenzene,3-methyl-1-bromobenzene PubChem CID: 11560 IUPAC Name: 1-bromo-3-methylbenzene SMILES: CC1=CC=CC(Br)=C1
| PubChem CID | 11560 |
|---|---|
| CAS | 591-17-3 |
| Molecular Weight (g/mol) | 171.04 |
| MDL Number | MFCD00000085 |
| SMILES | CC1=CC=CC(Br)=C1 |
| Synonym | 3-bromotoluene,m-bromotoluene,3-methylbromobenzene,benzene, 1-bromo-3-methyl,m-tolyl bromide,toluene, m-bromo,5-bromotoluene,3-bromo-1-methylbenzene,m-methylbromobenzene,3-methyl-1-bromobenzene |
| IUPAC Name | 1-bromo-3-methylbenzene |
| InChI Key | WJIFKOVZNJTSGO-UHFFFAOYSA-N |
| Molecular Formula | C7H7Br |
2,3,6,7,10,11-Hexakis[(n-octyl)oxy]triphenylene 98.0+%, TCI America™
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CAS: 70351-87-0 Molecular Formula: C66H108O6 Molecular Weight (g/mol): 997.58 MDL Number: MFCD20528916 InChI Key: IUFDADHEWRYRSP-UHFFFAOYSA-N PubChem CID: 15219108 IUPAC Name: 2,3,6,7,10,11-hexakis(octyloxy)triphenylene SMILES: CCCCCCCCOC1=C(OCCCCCCCC)C=C2C(=C1)C1=CC(OCCCCCCCC)=C(OCCCCCCCC)C=C1C1=CC(OCCCCCCCC)=C(OCCCCCCCC)C=C21
| PubChem CID | 15219108 |
|---|---|
| CAS | 70351-87-0 |
| Molecular Weight (g/mol) | 997.58 |
| MDL Number | MFCD20528916 |
| SMILES | CCCCCCCCOC1=C(OCCCCCCCC)C=C2C(=C1)C1=CC(OCCCCCCCC)=C(OCCCCCCCC)C=C1C1=CC(OCCCCCCCC)=C(OCCCCCCCC)C=C21 |
| IUPAC Name | 2,3,6,7,10,11-hexakis(octyloxy)triphenylene |
| InChI Key | IUFDADHEWRYRSP-UHFFFAOYSA-N |
| Molecular Formula | C66H108O6 |
Bis(3-amino-4-hydroxyphenyl) Sulfone 98.0+%, TCI America™
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CAS: 7545-50-8 Molecular Formula: C12H12N2O4S Molecular Weight (g/mol): 280.298 InChI Key: KECOIASOKMSRFT-UHFFFAOYSA-N PubChem CID: 82047 IUPAC Name: 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol SMILES: C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)O)N)N)O
| PubChem CID | 82047 |
|---|---|
| CAS | 7545-50-8 |
| Molecular Weight (g/mol) | 280.298 |
| SMILES | C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)O)N)N)O |
| IUPAC Name | 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol |
| InChI Key | KECOIASOKMSRFT-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2O4S |
Clofibrate 98.0+%, TCI America™
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CAS: 637-07-0 Molecular Formula: C12H15ClO3 Molecular Weight (g/mol): 242.70 MDL Number: MFCD00000615 InChI Key: KNHUKKLJHYUCFP-UHFFFAOYSA-N Synonym: clofibrate,ethyl clofibrate,clofibratum,clofibrato,atromid-s,miscleron,atromid,liprin,epib,angiokapsul PubChem CID: 2796 ChEBI: CHEBI:3750 IUPAC Name: ethyl 2-(4-chlorophenoxy)-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1
| PubChem CID | 2796 |
|---|---|
| CAS | 637-07-0 |
| Molecular Weight (g/mol) | 242.70 |
| ChEBI | CHEBI:3750 |
| MDL Number | MFCD00000615 |
| SMILES | CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1 |
| Synonym | clofibrate,ethyl clofibrate,clofibratum,clofibrato,atromid-s,miscleron,atromid,liprin,epib,angiokapsul |
| IUPAC Name | ethyl 2-(4-chlorophenoxy)-2-methylpropanoate |
| InChI Key | KNHUKKLJHYUCFP-UHFFFAOYSA-N |
| Molecular Formula | C12H15ClO3 |
2-Chlorobenzohydrazide 98.0+%, TCI America™
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CAS: 5814-05-1 Molecular Formula: C7H7ClN2O Molecular Weight (g/mol): 170.60 MDL Number: MFCD00007597 InChI Key: KPPNLSKVTKSSTG-UHFFFAOYSA-N Synonym: 2-chlorobenzhydrazide,2-chlorobenzoic hydrazide,2-chlorobenzoic acid hydrazide,2-chlorobenzene-1-carbohydrazide,benzoylhydrazine, o-chloro,benzoic acid, 2-chloro-, hydrazide,2-chlorobenzenecarbohydrazide,chlorobenzohydrazide,o-chlorobenzhydrazide,2clphcon2 PubChem CID: 79883 IUPAC Name: 2-chlorobenzohydrazide SMILES: C1=CC=C(C(=C1)C(=O)NN)Cl
| PubChem CID | 79883 |
|---|---|
| CAS | 5814-05-1 |
| Molecular Weight (g/mol) | 170.60 |
| MDL Number | MFCD00007597 |
| SMILES | C1=CC=C(C(=C1)C(=O)NN)Cl |
| Synonym | 2-chlorobenzhydrazide,2-chlorobenzoic hydrazide,2-chlorobenzoic acid hydrazide,2-chlorobenzene-1-carbohydrazide,benzoylhydrazine, o-chloro,benzoic acid, 2-chloro-, hydrazide,2-chlorobenzenecarbohydrazide,chlorobenzohydrazide,o-chlorobenzhydrazide,2clphcon2 |
| IUPAC Name | 2-chlorobenzohydrazide |
| InChI Key | KPPNLSKVTKSSTG-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClN2O |
2-Bromo-6-methylbenzoic Acid 98.0+%, TCI America™
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CAS: 90259-31-7 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD01310788 InChI Key: ICXBPDJQFPIBSS-UHFFFAOYSA-N Synonym: 6-bromo-o-toluic acid,2-bromo-6-methyl-benzoic acid,6-bromo-2-methylbenzoic acid,benzoic acid, 2-bromo-6-methyl,bromtoluylsaure,bromotoluic acid,pubchem4715,acmc-209r5e,ksc494k9r,3-bromo-2-carboxytoluene PubChem CID: 2735589 IUPAC Name: 2-bromo-6-methylbenzoic acid SMILES: CC1=C(C(O)=O)C(Br)=CC=C1
| PubChem CID | 2735589 |
|---|---|
| CAS | 90259-31-7 |
| Molecular Weight (g/mol) | 215.05 |
| MDL Number | MFCD01310788 |
| SMILES | CC1=C(C(O)=O)C(Br)=CC=C1 |
| Synonym | 6-bromo-o-toluic acid,2-bromo-6-methyl-benzoic acid,6-bromo-2-methylbenzoic acid,benzoic acid, 2-bromo-6-methyl,bromtoluylsaure,bromotoluic acid,pubchem4715,acmc-209r5e,ksc494k9r,3-bromo-2-carboxytoluene |
| IUPAC Name | 2-bromo-6-methylbenzoic acid |
| InChI Key | ICXBPDJQFPIBSS-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
1-Bromo-3-(trifluoromethoxy)benzene 98.0+%, TCI America™
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CAS: 2252-44-0 Molecular Formula: C7H4BrF3O Molecular Weight (g/mol): 241.007 MDL Number: MFCD00040943 InChI Key: WVUDHWBCPSXAFN-UHFFFAOYSA-N Synonym: 1-bromo-3-trifluoromethoxy benzene,3-trifluoromethoxy bromobenzene,3-bromo trifluoromethoxy benzene,m-bromo trifluoromethoxy benzene,3-bromo-1-trifluoromethoxy benzene,benzene, 1-bromo-3-trifluoromethoxy,3-bromo-alpha,alpha,alpha-trifluoroanisole,bromo-3-trifluoromethoxy benzene,buttpark 91\57-27,1-bromo-3-trifluoromethoxy-benzene PubChem CID: 519964 IUPAC Name: 1-bromo-3-(trifluoromethoxy)benzene SMILES: C1=CC(=CC(=C1)Br)OC(F)(F)F
| PubChem CID | 519964 |
|---|---|
| CAS | 2252-44-0 |
| Molecular Weight (g/mol) | 241.007 |
| MDL Number | MFCD00040943 |
| SMILES | C1=CC(=CC(=C1)Br)OC(F)(F)F |
| Synonym | 1-bromo-3-trifluoromethoxy benzene,3-trifluoromethoxy bromobenzene,3-bromo trifluoromethoxy benzene,m-bromo trifluoromethoxy benzene,3-bromo-1-trifluoromethoxy benzene,benzene, 1-bromo-3-trifluoromethoxy,3-bromo-alpha,alpha,alpha-trifluoroanisole,bromo-3-trifluoromethoxy benzene,buttpark 91\57-27,1-bromo-3-trifluoromethoxy-benzene |
| IUPAC Name | 1-bromo-3-(trifluoromethoxy)benzene |
| InChI Key | WVUDHWBCPSXAFN-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrF3O |
4-Chloro-3-methylbenzoic Acid 98.0+%, TCI America™
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CAS: 7697-29-2 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 MDL Number: MFCD00045853 InChI Key: MRUKIIWRMSYKML-UHFFFAOYSA-N Synonym: 4-chloro-m-toluic acid,4-chloro-3-methyl-benzoic acid,4-chloro-3-methyl benzoic acid,benzoic acid, 4-chloro-3-methyl,m-toluic acid, 4-chloro,pubchem3666,5-carboxy-2-chlorotoluene,acmc-1bg77,ksc497q5r,4-chloranyl-3-methyl-benzoic acid PubChem CID: 282989 IUPAC Name: 4-chloro-3-methylbenzoic acid SMILES: CC1=CC(=CC=C1Cl)C(O)=O
| PubChem CID | 282989 |
|---|---|
| CAS | 7697-29-2 |
| Molecular Weight (g/mol) | 170.59 |
| MDL Number | MFCD00045853 |
| SMILES | CC1=CC(=CC=C1Cl)C(O)=O |
| Synonym | 4-chloro-m-toluic acid,4-chloro-3-methyl-benzoic acid,4-chloro-3-methyl benzoic acid,benzoic acid, 4-chloro-3-methyl,m-toluic acid, 4-chloro,pubchem3666,5-carboxy-2-chlorotoluene,acmc-1bg77,ksc497q5r,4-chloranyl-3-methyl-benzoic acid |
| IUPAC Name | 4-chloro-3-methylbenzoic acid |
| InChI Key | MRUKIIWRMSYKML-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO2 |
2-Nitrotoluene 99.0+%, TCI America™
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CAS: 88-72-2 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00007157 InChI Key: PLAZTCDQAHEYBI-UHFFFAOYSA-N Synonym: 2-nitrotoluene,o-nitrotoluene,o-nitrotoluol,o-methylnitrobenzene,benzene, 1-methyl-2-nitro,toluene, o-nitro,2-methyl-1-nitrobenzene,2-nitrotoluol,ortho-nitrotoluol,2-methylnitrobenzene PubChem CID: 6944 ChEBI: CHEBI:33098 IUPAC Name: 1-methyl-2-nitrobenzene SMILES: CC1=CC=CC=C1[N+](=O)[O-]
| PubChem CID | 6944 |
|---|---|
| CAS | 88-72-2 |
| Molecular Weight (g/mol) | 137.138 |
| ChEBI | CHEBI:33098 |
| MDL Number | MFCD00007157 |
| SMILES | CC1=CC=CC=C1[N+](=O)[O-] |
| Synonym | 2-nitrotoluene,o-nitrotoluene,o-nitrotoluol,o-methylnitrobenzene,benzene, 1-methyl-2-nitro,toluene, o-nitro,2-methyl-1-nitrobenzene,2-nitrotoluol,ortho-nitrotoluol,2-methylnitrobenzene |
| IUPAC Name | 1-methyl-2-nitrobenzene |
| InChI Key | PLAZTCDQAHEYBI-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
2-Chloro-4,5-difluorobenzoic Acid 98.0+%, TCI America™
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CAS: 110877-64-0 Molecular Formula: C7H2ClF2O2 Molecular Weight (g/mol): 191.54 MDL Number: MFCD00077479 InChI Key: CGFMLBSNHNWJAW-UHFFFAOYSA-M Synonym: 2-chloro-4,5-difluoro-benzoic acid,2'-chloro-4',5'-difluorobenzoic acid,benzoic acid, 2-chloro-4,5-difluoro,pubchem1339,ksc177o4l,rarechem al bo 1000,timtec-bb sbb003616,2-chloro-4,5-difluorobenzoic acid,benzoicacid, 2-chloro-4,5-difluoro PubChem CID: 737171 IUPAC Name: 2-chloro-4,5-difluorobenzoate SMILES: [O-]C(=O)C1=CC(F)=C(F)C=C1Cl
| PubChem CID | 737171 |
|---|---|
| CAS | 110877-64-0 |
| Molecular Weight (g/mol) | 191.54 |
| MDL Number | MFCD00077479 |
| SMILES | [O-]C(=O)C1=CC(F)=C(F)C=C1Cl |
| Synonym | 2-chloro-4,5-difluoro-benzoic acid,2'-chloro-4',5'-difluorobenzoic acid,benzoic acid, 2-chloro-4,5-difluoro,pubchem1339,ksc177o4l,rarechem al bo 1000,timtec-bb sbb003616,2-chloro-4,5-difluorobenzoic acid,benzoicacid, 2-chloro-4,5-difluoro |
| IUPAC Name | 2-chloro-4,5-difluorobenzoate |
| InChI Key | CGFMLBSNHNWJAW-UHFFFAOYSA-M |
| Molecular Formula | C7H2ClF2O2 |
3-Nitrobenzyl Chloride 99.0+%, TCI America™
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CAS: 619-23-8 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007272 InChI Key: APGGSERFJKEWFG-UHFFFAOYSA-N Synonym: 3-nitrobenzyl chloride,1-chloromethyl-3-nitrobenzene,m-nitrobenzyl chloride,alpha-chloro-3-nitrotoluene,benzene, 1-chloromethyl-3-nitro,toluene, alpha-chloro-m-nitro,.alpha.-chloro-m-nitrotoluene,unii-ojl133898o,3-nitrobenzylchloride,ccris 2324 PubChem CID: 12078 IUPAC Name: 1-(chloromethyl)-3-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC(CCl)=C1
| PubChem CID | 12078 |
|---|---|
| CAS | 619-23-8 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00007272 |
| SMILES | [O-][N+](=O)C1=CC=CC(CCl)=C1 |
| Synonym | 3-nitrobenzyl chloride,1-chloromethyl-3-nitrobenzene,m-nitrobenzyl chloride,alpha-chloro-3-nitrotoluene,benzene, 1-chloromethyl-3-nitro,toluene, alpha-chloro-m-nitro,.alpha.-chloro-m-nitrotoluene,unii-ojl133898o,3-nitrobenzylchloride,ccris 2324 |
| IUPAC Name | 1-(chloromethyl)-3-nitrobenzene |
| InChI Key | APGGSERFJKEWFG-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
2-Fluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 2734354 |
|---|---|
| CAS | 1993-03-9 |
| Molecular Weight (g/mol) | 139.92 |
| MDL Number | MFCD00674013 |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC=CC=C1F)(O)O |
| Synonym | 2-fluorophenyl boronic acid,2-fluorobenzeneboronic acid,2-fluorophenyl boranediol,o-fluorophenylboronic acid,boronic acid, b-2-fluorophenyl |
| TSCA | No |
| IUPAC Name | (2-fluorophenyl)boronic acid |
| InChI Key | QCSLIRFWJPOENV-UHFFFAOYSA-N |
| Molecular Formula | C6H6BFO2 |
| Formula Weight | 139.92 |
| Melting Point | 110°C |
2-Chlorobenzyl Cyanide 98.0+%, TCI America™
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CAS: 2856-63-5 Molecular Formula: C8H6ClN Molecular Weight (g/mol): 151.593 MDL Number: MFCD00001898 InChI Key: MRDUURPIPLIGQX-UHFFFAOYSA-N Synonym: 2-chlorobenzyl cyanide,2-chlorophenylacetonitrile,2-2-chlorophenyl acetonitrile,o-chlorobenzyl cyanide,benzeneacetonitrile, 2-chloro,2-chlorobenzeneacetonitrile,2-chlorobenzylcyanide,2-chlorophenyl acetonitrile,o-chlorophenyl acetonitrile,acetonitrile, o-chlorophenyl PubChem CID: 76112 IUPAC Name: 2-(2-chlorophenyl)acetonitrile SMILES: C1=CC=C(C(=C1)CC#N)Cl
| PubChem CID | 76112 |
|---|---|
| CAS | 2856-63-5 |
| Molecular Weight (g/mol) | 151.593 |
| MDL Number | MFCD00001898 |
| SMILES | C1=CC=C(C(=C1)CC#N)Cl |
| Synonym | 2-chlorobenzyl cyanide,2-chlorophenylacetonitrile,2-2-chlorophenyl acetonitrile,o-chlorobenzyl cyanide,benzeneacetonitrile, 2-chloro,2-chlorobenzeneacetonitrile,2-chlorobenzylcyanide,2-chlorophenyl acetonitrile,o-chlorophenyl acetonitrile,acetonitrile, o-chlorophenyl |
| IUPAC Name | 2-(2-chlorophenyl)acetonitrile |
| InChI Key | MRDUURPIPLIGQX-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClN |
4-Bromocumene 97.0+%, TCI America™
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CAS: 586-61-8 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.09 MDL Number: MFCD00039159 InChI Key: MOZHUOIQYVYEPN-UHFFFAOYSA-N Synonym: 1-bromo-4-isopropylbenzene,4-bromocumene,4-bromoisopropylbenzene,p-bromocumene,4-isopropylbromobenzene,benzene, 1-bromo-4-1-methylethyl,p-bromoisopropylbenzene,2-p-bromophenyl propane,cumene, p-bromo,2-4-bromophenyl propane PubChem CID: 11462 IUPAC Name: 1-bromo-4-(propan-2-yl)benzene SMILES: CC(C)C1=CC=C(Br)C=C1
| PubChem CID | 11462 |
|---|---|
| CAS | 586-61-8 |
| Molecular Weight (g/mol) | 199.09 |
| MDL Number | MFCD00039159 |
| SMILES | CC(C)C1=CC=C(Br)C=C1 |
| Synonym | 1-bromo-4-isopropylbenzene,4-bromocumene,4-bromoisopropylbenzene,p-bromocumene,4-isopropylbromobenzene,benzene, 1-bromo-4-1-methylethyl,p-bromoisopropylbenzene,2-p-bromophenyl propane,cumene, p-bromo,2-4-bromophenyl propane |
| IUPAC Name | 1-bromo-4-(propan-2-yl)benzene |
| InChI Key | MOZHUOIQYVYEPN-UHFFFAOYSA-N |
| Molecular Formula | C9H11Br |