Benzenoids
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4,4'-Diiodo-3,3'-dimethylbiphenyl 98.0+%, TCI America™
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CAS: 7583-27-9 Molecular Formula: C14H12I2 Molecular Weight (g/mol): 434.059 MDL Number: MFCD04038414 InChI Key: ISWXEMYZGWXIIZ-UHFFFAOYSA-N PubChem CID: 22323609 IUPAC Name: 1-iodo-4-(4-iodo-3-methylphenyl)-2-methylbenzene SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)I)C)I
| PubChem CID | 22323609 |
|---|---|
| CAS | 7583-27-9 |
| Molecular Weight (g/mol) | 434.059 |
| MDL Number | MFCD04038414 |
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)I)C)I |
| IUPAC Name | 1-iodo-4-(4-iodo-3-methylphenyl)-2-methylbenzene |
| InChI Key | ISWXEMYZGWXIIZ-UHFFFAOYSA-N |
| Molecular Formula | C14H12I2 |
3-Fluoro-4-(trifluoromethoxy)phenol 98.0+%, TCI America™
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CAS: 177596-38-2 Molecular Formula: C7H4F4O2 Molecular Weight (g/mol): 196.101 MDL Number: MFCD06660342 InChI Key: UTFSPWRTXCDUIJ-UHFFFAOYSA-N Synonym: 3-fluoro-4-trifluoromethoxy phenol,phenol, 3-fluoro-4-trifluoromethoxy,1-fluoro-5-hydroxy-2-trifluoromethoxy benzene,acmc-1bxa3,3-fluoro-4-trifluromethoxyphenol,3-fluoranyl-4-trifluoromethyloxy phenol PubChem CID: 2783357 IUPAC Name: 3-fluoro-4-(trifluoromethoxy)phenol SMILES: C1=CC(=C(C=C1O)F)OC(F)(F)F
| PubChem CID | 2783357 |
|---|---|
| CAS | 177596-38-2 |
| Molecular Weight (g/mol) | 196.101 |
| MDL Number | MFCD06660342 |
| SMILES | C1=CC(=C(C=C1O)F)OC(F)(F)F |
| Synonym | 3-fluoro-4-trifluoromethoxy phenol,phenol, 3-fluoro-4-trifluoromethoxy,1-fluoro-5-hydroxy-2-trifluoromethoxy benzene,acmc-1bxa3,3-fluoro-4-trifluromethoxyphenol,3-fluoranyl-4-trifluoromethyloxy phenol |
| IUPAC Name | 3-fluoro-4-(trifluoromethoxy)phenol |
| InChI Key | UTFSPWRTXCDUIJ-UHFFFAOYSA-N |
| Molecular Formula | C7H4F4O2 |
p-Xylyl Cyanide 98.0+%, TCI America™
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CAS: 2947-61-7 Molecular Formula: C9H9N Molecular Weight (g/mol): 131.18 MDL Number: MFCD00001922 InChI Key: RNHKXHKUKJXLAU-UHFFFAOYSA-N Synonym: 4-methylbenzyl cyanide,4-methylphenylacetonitrile,p-tolylacetonitrile,p-methylbenzyl cyanide,2-4-methylphenyl acetonitrile,benzeneacetonitrile, 4-methyl,4-methylphenyl acetonitrile,4-methylbenzeneacetonitrile,4-methylbenzylcyanide,2-p-tolylacetonitrile PubChem CID: 76280 IUPAC Name: 2-(4-methylphenyl)acetonitrile SMILES: CC1=CC=C(CC#N)C=C1
| PubChem CID | 76280 |
|---|---|
| CAS | 2947-61-7 |
| Molecular Weight (g/mol) | 131.18 |
| MDL Number | MFCD00001922 |
| SMILES | CC1=CC=C(CC#N)C=C1 |
| Synonym | 4-methylbenzyl cyanide,4-methylphenylacetonitrile,p-tolylacetonitrile,p-methylbenzyl cyanide,2-4-methylphenyl acetonitrile,benzeneacetonitrile, 4-methyl,4-methylphenyl acetonitrile,4-methylbenzeneacetonitrile,4-methylbenzylcyanide,2-p-tolylacetonitrile |
| IUPAC Name | 2-(4-methylphenyl)acetonitrile |
| InChI Key | RNHKXHKUKJXLAU-UHFFFAOYSA-N |
| Molecular Formula | C9H9N |
Methyl 3-Bromo-4-methoxybenzoate 98.0+%, TCI America™
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CAS: 35450-37-4 Molecular Formula: C9H9BrO3 Molecular Weight (g/mol): 245.07 MDL Number: MFCD00210463 InChI Key: ZREVPFANJBZHEU-UHFFFAOYSA-N Synonym: 3-bromo-4-methoxybenzoic acid methyl ester,methyl3-bromo-4-methoxybenzoate,benzoic acid, 3-bromo-4-methoxy-, methyl ester,acmc-209igx,methyl 3-bromo-p-anisate,rarechem al bf 0247,methyl-3-bromo-4-methoxybenzoate,3-bromo-p-anisic acid methyl ester,#,methyl 3-bromo-4-methyloxy benzoate PubChem CID: 611662 IUPAC Name: methyl 3-bromo-4-methoxybenzoate SMILES: COC(=O)C1=CC(Br)=C(OC)C=C1
| PubChem CID | 611662 |
|---|---|
| CAS | 35450-37-4 |
| Molecular Weight (g/mol) | 245.07 |
| MDL Number | MFCD00210463 |
| SMILES | COC(=O)C1=CC(Br)=C(OC)C=C1 |
| Synonym | 3-bromo-4-methoxybenzoic acid methyl ester,methyl3-bromo-4-methoxybenzoate,benzoic acid, 3-bromo-4-methoxy-, methyl ester,acmc-209igx,methyl 3-bromo-p-anisate,rarechem al bf 0247,methyl-3-bromo-4-methoxybenzoate,3-bromo-p-anisic acid methyl ester,#,methyl 3-bromo-4-methyloxy benzoate |
| IUPAC Name | methyl 3-bromo-4-methoxybenzoate |
| InChI Key | ZREVPFANJBZHEU-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO3 |
2-Chloro-5-methoxyaniline Hydrochloride 98.0+%, TCI America™
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CAS: 85006-21-9 Molecular Formula: C7H9Cl2NO Molecular Weight (g/mol): 194.06 MDL Number: MFCD00012962 InChI Key: NQWBPXKJBZYGHZ-UHFFFAOYSA-N Synonym: 2-chloro-5-methoxyaniline hydrochloride,3-amino-4-chloroanisole hydrochloride,6-chloro-m-anisidine hydrochloride,2-chloro-5-methoxyaniline hcl,6-chloro-meta-anisidine hydrochloride,2-chloro-5-methoxyanilinehydrochloride,benzenamine, 2-chloro-5-methoxy-, hydrochloride,timtec-bb sbb008038,pubchem3658,pubchem3660 PubChem CID: 2723900 IUPAC Name: 2-chloro-5-methoxyanilinium chloride SMILES: [Cl-].COC1=CC=C(Cl)C([NH3+])=C1
| PubChem CID | 2723900 |
|---|---|
| CAS | 85006-21-9 |
| Molecular Weight (g/mol) | 194.06 |
| MDL Number | MFCD00012962 |
| SMILES | [Cl-].COC1=CC=C(Cl)C([NH3+])=C1 |
| Synonym | 2-chloro-5-methoxyaniline hydrochloride,3-amino-4-chloroanisole hydrochloride,6-chloro-m-anisidine hydrochloride,2-chloro-5-methoxyaniline hcl,6-chloro-meta-anisidine hydrochloride,2-chloro-5-methoxyanilinehydrochloride,benzenamine, 2-chloro-5-methoxy-, hydrochloride,timtec-bb sbb008038,pubchem3658,pubchem3660 |
| IUPAC Name | 2-chloro-5-methoxyanilinium chloride |
| InChI Key | NQWBPXKJBZYGHZ-UHFFFAOYSA-N |
| Molecular Formula | C7H9Cl2NO |
2,3,4-Trifluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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CAS: 226396-32-3 Molecular Formula: C6H4BF3O2 Molecular Weight (g/mol): 175.901 MDL Number: MFCD01863168 InChI Key: CLGIPVVEERQWSQ-UHFFFAOYSA-N Synonym: 2,3,4-trifluorophenyl boronic acid,2,3,4-trifluorobenzeneboronic acid,2,3,4-trifluorphenylboronic acid,4,5,6-trifluorophenylboronic acid,boronic acid, 2,3,4-trifluorophenyl,pubchem1887,acmc-1ckzl,trifluorophenylboronic acid,ksc201q5d,jalor-chem i01-8460 PubChem CID: 2783280 IUPAC Name: (2,3,4-trifluorophenyl)boronic acid SMILES: B(C1=C(C(=C(C=C1)F)F)F)(O)O
| PubChem CID | 2783280 |
|---|---|
| CAS | 226396-32-3 |
| Molecular Weight (g/mol) | 175.901 |
| MDL Number | MFCD01863168 |
| SMILES | B(C1=C(C(=C(C=C1)F)F)F)(O)O |
| Synonym | 2,3,4-trifluorophenyl boronic acid,2,3,4-trifluorobenzeneboronic acid,2,3,4-trifluorphenylboronic acid,4,5,6-trifluorophenylboronic acid,boronic acid, 2,3,4-trifluorophenyl,pubchem1887,acmc-1ckzl,trifluorophenylboronic acid,ksc201q5d,jalor-chem i01-8460 |
| IUPAC Name | (2,3,4-trifluorophenyl)boronic acid |
| InChI Key | CLGIPVVEERQWSQ-UHFFFAOYSA-N |
| Molecular Formula | C6H4BF3O2 |
Ethyl Benzilate 97.0+%, TCI America™
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CAS: 52182-15-7 Molecular Formula: C16H16O3 Molecular Weight (g/mol): 256.30 MDL Number: MFCD00016850 InChI Key: AIPVNQQMYPWQSX-UHFFFAOYSA-N Synonym: ethyl benzilate,benzilic acid ethyl ester,ethyl diphenylglycolate,ethylbenzilate,ethyl benzillate,benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, ethyl ester,benzilsaureethylester,acmc-209ky4,ethyl hydroxy diphenyl acetate #,diphenylglycolic acid ethyl ester PubChem CID: 96261 IUPAC Name: ethyl 2-hydroxy-2,2-diphenylacetate SMILES: CCOC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 96261 |
|---|---|
| CAS | 52182-15-7 |
| Molecular Weight (g/mol) | 256.30 |
| MDL Number | MFCD00016850 |
| SMILES | CCOC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | ethyl benzilate,benzilic acid ethyl ester,ethyl diphenylglycolate,ethylbenzilate,ethyl benzillate,benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, ethyl ester,benzilsaureethylester,acmc-209ky4,ethyl hydroxy diphenyl acetate #,diphenylglycolic acid ethyl ester |
| IUPAC Name | ethyl 2-hydroxy-2,2-diphenylacetate |
| InChI Key | AIPVNQQMYPWQSX-UHFFFAOYSA-N |
| Molecular Formula | C16H16O3 |
3-Nitrosalicylaldehyde 98.0+%, TCI America™
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CAS: 5274-70-4 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00041874 InChI Key: NUGOTBXFVWXVTE-UHFFFAOYSA-N Synonym: 3-nitrosalicylaldehyde,salicylaldehyde, 3-nitro,benzaldehyde, 2-hydroxy-3-nitro,3-nitro-2-hydroxybenzaldehyde,3-nitrosalicaldehyde,pubchem7773,2-hydroxy-nitrobenzaldehyde,acmc-209l1g,3-nitrosalicylaidehyde,benzaldehyde, 2-hydroxynitro PubChem CID: 78934 IUPAC Name: 2-hydroxy-3-nitrobenzaldehyde SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])O)C=O
| PubChem CID | 78934 |
|---|---|
| CAS | 5274-70-4 |
| Molecular Weight (g/mol) | 167.12 |
| MDL Number | MFCD00041874 |
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])O)C=O |
| Synonym | 3-nitrosalicylaldehyde,salicylaldehyde, 3-nitro,benzaldehyde, 2-hydroxy-3-nitro,3-nitro-2-hydroxybenzaldehyde,3-nitrosalicaldehyde,pubchem7773,2-hydroxy-nitrobenzaldehyde,acmc-209l1g,3-nitrosalicylaidehyde,benzaldehyde, 2-hydroxynitro |
| IUPAC Name | 2-hydroxy-3-nitrobenzaldehyde |
| InChI Key | NUGOTBXFVWXVTE-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO4 |
3,5-Bis(trifluoromethyl)benzoic Acid 98.0+%, TCI America™
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CAS: 725-89-3 Molecular Formula: C9H4F6O2 Molecular Weight (g/mol): 258.12 MDL Number: MFCD00000388 InChI Key: HVFQJWGYVXKLTE-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzoic acid,3,5-di trifluoromethyl benzoic acid,benzoic acid, 3,5-bis trifluoromethyl,bis 3,5-trifluoromethyl benzoic acid,mbt-boa,3,5-bis-trifluoromethyl-benzoic acid,3,5-bis-trifluoromethyl benzoic acid,3.5-bis trifluoromethyl benzoic acid,pubchem2725 PubChem CID: 12889 IUPAC Name: 3,5-bis(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 12889 |
|---|---|
| CAS | 725-89-3 |
| Molecular Weight (g/mol) | 258.12 |
| MDL Number | MFCD00000388 |
| SMILES | OC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl benzoic acid,3,5-di trifluoromethyl benzoic acid,benzoic acid, 3,5-bis trifluoromethyl,bis 3,5-trifluoromethyl benzoic acid,mbt-boa,3,5-bis-trifluoromethyl-benzoic acid,3,5-bis-trifluoromethyl benzoic acid,3.5-bis trifluoromethyl benzoic acid,pubchem2725 |
| IUPAC Name | 3,5-bis(trifluoromethyl)benzoic acid |
| InChI Key | HVFQJWGYVXKLTE-UHFFFAOYSA-N |
| Molecular Formula | C9H4F6O2 |
Ethylene Glycol Bis[4-(ethoxycarbonyl)phenyl] Ether 98.0+%, TCI America™
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CAS: 25909-66-4 Molecular Formula: C20H22O6 Molecular Weight (g/mol): 358.39 MDL Number: MFCD00144288 InChI Key: XTHNYIOBLBKRMO-UHFFFAOYSA-N Synonym: 1,2-Bis(4-carbethoxyphenoxy)ethane, 1,2-Bis(4-ethoxycarbonylphenoxy)ethane, Ethylene Glycol Bis(4-carbethoxyphenyl) Ether PubChem CID: 11371768 IUPAC Name: ethyl 4-{2-[4-(ethoxycarbonyl)phenoxy]ethoxy}benzoate SMILES: CCOC(=O)C1=CC=C(OCCOC2=CC=C(C=C2)C(=O)OCC)C=C1
| PubChem CID | 11371768 |
|---|---|
| CAS | 25909-66-4 |
| Molecular Weight (g/mol) | 358.39 |
| MDL Number | MFCD00144288 |
| SMILES | CCOC(=O)C1=CC=C(OCCOC2=CC=C(C=C2)C(=O)OCC)C=C1 |
| Synonym | 1,2-Bis(4-carbethoxyphenoxy)ethane, 1,2-Bis(4-ethoxycarbonylphenoxy)ethane, Ethylene Glycol Bis(4-carbethoxyphenyl) Ether |
| IUPAC Name | ethyl 4-{2-[4-(ethoxycarbonyl)phenoxy]ethoxy}benzoate |
| InChI Key | XTHNYIOBLBKRMO-UHFFFAOYSA-N |
| Molecular Formula | C20H22O6 |
5-Bromo-2-fluoroaniline 95.0+%, TCI America™
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CAS: 2924-09-6 Molecular Formula: C6H5BrFN Molecular Weight (g/mol): 190.02 MDL Number: MFCD03094181 InChI Key: ADWKOCXRCRSMLQ-UHFFFAOYSA-N Synonym: 5-bromo-2-fluorobenzenamine,2-fluoro-5-bromoaniline,5-bromo-2-fluoro aniline,5-bromo-2-fluorophenylamine,benzenamine, 5-bromo-2-fluoro,5-bromo-2-fluoro-phenylamine,1-amino-5-bromo-2-fluorobenzene,5-bromo-2fluoroaniline,pubchem13482,acmc-1cjje PubChem CID: 2769407 IUPAC Name: 5-bromo-2-fluoroaniline SMILES: C1=CC(=C(C=C1Br)N)F
| PubChem CID | 2769407 |
|---|---|
| CAS | 2924-09-6 |
| Molecular Weight (g/mol) | 190.02 |
| MDL Number | MFCD03094181 |
| SMILES | C1=CC(=C(C=C1Br)N)F |
| Synonym | 5-bromo-2-fluorobenzenamine,2-fluoro-5-bromoaniline,5-bromo-2-fluoro aniline,5-bromo-2-fluorophenylamine,benzenamine, 5-bromo-2-fluoro,5-bromo-2-fluoro-phenylamine,1-amino-5-bromo-2-fluorobenzene,5-bromo-2fluoroaniline,pubchem13482,acmc-1cjje |
| IUPAC Name | 5-bromo-2-fluoroaniline |
| InChI Key | ADWKOCXRCRSMLQ-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrFN |
4-Iodophenol 98.0+%, TCI America™
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CAS: 540-38-5 Molecular Formula: C6H5IO Molecular Weight (g/mol): 220.01 MDL Number: MFCD00002327 InChI Key: VSMDINRNYYEDRN-UHFFFAOYSA-N Synonym: p-iodophenol,phenol, 4-iodo,phenol, p-iodo,4-hydroxyiodobenzene,p-hydroxyiodobenzene,4-hydroxyphenyl iodide,4-iodo-phenol,unii-bh194bak0b,ccris 668,bh194bak0b PubChem CID: 10894 ChEBI: CHEBI:43521 IUPAC Name: 4-iodophenol SMILES: OC1=CC=C(I)C=C1
| PubChem CID | 10894 |
|---|---|
| CAS | 540-38-5 |
| Molecular Weight (g/mol) | 220.01 |
| ChEBI | CHEBI:43521 |
| MDL Number | MFCD00002327 |
| SMILES | OC1=CC=C(I)C=C1 |
| Synonym | p-iodophenol,phenol, 4-iodo,phenol, p-iodo,4-hydroxyiodobenzene,p-hydroxyiodobenzene,4-hydroxyphenyl iodide,4-iodo-phenol,unii-bh194bak0b,ccris 668,bh194bak0b |
| IUPAC Name | 4-iodophenol |
| InChI Key | VSMDINRNYYEDRN-UHFFFAOYSA-N |
| Molecular Formula | C6H5IO |
4-Chloro-2,5-dimethoxyaniline 98.0+%, TCI America™
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CAS: 6358-64-1 Molecular Formula: C8H10ClNO2 Molecular Weight (g/mol): 187.62 MDL Number: MFCD00014893 InChI Key: YGUFQYGSBVXPMC-UHFFFAOYSA-N Synonym: 2,5-dimethoxy-4-chloroaniline,benzenamine, 4-chloro-2,5-dimethoxy,aniline, 4-chloro-2,5-dimethoxy,unii-t659iw8p4s,4-chloro-2,5-dimethoxyphenylamine,pubchem4366,acmc-1b2t2,dsstox_cid_20718,dsstox_rid_79565,dsstox_gsid_40718 PubChem CID: 22833 IUPAC Name: 4-chloro-2,5-dimethoxyaniline SMILES: COC1=CC(Cl)=C(OC)C=C1N
| PubChem CID | 22833 |
|---|---|
| CAS | 6358-64-1 |
| Molecular Weight (g/mol) | 187.62 |
| MDL Number | MFCD00014893 |
| SMILES | COC1=CC(Cl)=C(OC)C=C1N |
| Synonym | 2,5-dimethoxy-4-chloroaniline,benzenamine, 4-chloro-2,5-dimethoxy,aniline, 4-chloro-2,5-dimethoxy,unii-t659iw8p4s,4-chloro-2,5-dimethoxyphenylamine,pubchem4366,acmc-1b2t2,dsstox_cid_20718,dsstox_rid_79565,dsstox_gsid_40718 |
| IUPAC Name | 4-chloro-2,5-dimethoxyaniline |
| InChI Key | YGUFQYGSBVXPMC-UHFFFAOYSA-N |
| Molecular Formula | C8H10ClNO2 |
7-Bromo-2-(chloroacetyl)-9,9-difluorofluorene 98.0+%, TCI America™
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CAS: 1378387-81-5 Molecular Formula: C15H8BrClF2O Molecular Weight (g/mol): 357.579 MDL Number: MFCD28400046 InChI Key: KHQZXVZXRCFXSC-UHFFFAOYSA-N PubChem CID: 59611258 IUPAC Name: 1-(7-bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone SMILES: C1=CC2=C(C=C1C(=O)CCl)C(C3=C2C=CC(=C3)Br)(F)F
| PubChem CID | 59611258 |
|---|---|
| CAS | 1378387-81-5 |
| Molecular Weight (g/mol) | 357.579 |
| MDL Number | MFCD28400046 |
| SMILES | C1=CC2=C(C=C1C(=O)CCl)C(C3=C2C=CC(=C3)Br)(F)F |
| IUPAC Name | 1-(7-bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone |
| InChI Key | KHQZXVZXRCFXSC-UHFFFAOYSA-N |
| Molecular Formula | C15H8BrClF2O |
3,3-Diphenylpropyl Bromide 98.0+%, TCI America™
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CAS: 20017-68-9 Molecular Formula: C15H15Br Molecular Weight (g/mol): 275.19 MDL Number: MFCD00044829 InChI Key: SLHSRCBFPHCSGL-UHFFFAOYSA-N Synonym: 1-bromo-3,3-diphenylpropane,3,3-diphenylpropyl bromide,3-bromo-1,1-diphenylpropane,3-bromopropane-1,1-diyl dibenzene,3-bromo-1-phenylpropyl benzene,3,3-diphenylpropylbromide,1,1'-3-bromopropylidene bisbenzene,benzene, 1,1'-3-bromopropylidene bis,acmc-1cjoi,3,3-diphenyl-1-propylbromide PubChem CID: 88333 IUPAC Name: (3-bromo-1-phenylpropyl)benzene SMILES: BrCCC(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 88333 |
|---|---|
| CAS | 20017-68-9 |
| Molecular Weight (g/mol) | 275.19 |
| MDL Number | MFCD00044829 |
| SMILES | BrCCC(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 1-bromo-3,3-diphenylpropane,3,3-diphenylpropyl bromide,3-bromo-1,1-diphenylpropane,3-bromopropane-1,1-diyl dibenzene,3-bromo-1-phenylpropyl benzene,3,3-diphenylpropylbromide,1,1'-3-bromopropylidene bisbenzene,benzene, 1,1'-3-bromopropylidene bis,acmc-1cjoi,3,3-diphenyl-1-propylbromide |
| IUPAC Name | (3-bromo-1-phenylpropyl)benzene |
| InChI Key | SLHSRCBFPHCSGL-UHFFFAOYSA-N |
| Molecular Formula | C15H15Br |