Benzenoids
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2-(4-Fluorophenyl)thiophene 95.0+%, TCI America™
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CAS: 58861-48-6 Molecular Formula: C10H7FS Molecular Weight (g/mol): 178.224 MDL Number: MFCD06802535 InChI Key: PURJRGMZIKXDMW-UHFFFAOYSA-N PubChem CID: 21894783 IUPAC Name: 2-(4-fluorophenyl)thiophene SMILES: C1=CSC(=C1)C2=CC=C(C=C2)F
| PubChem CID | 21894783 |
|---|---|
| CAS | 58861-48-6 |
| Molecular Weight (g/mol) | 178.224 |
| MDL Number | MFCD06802535 |
| SMILES | C1=CSC(=C1)C2=CC=C(C=C2)F |
| IUPAC Name | 2-(4-fluorophenyl)thiophene |
| InChI Key | PURJRGMZIKXDMW-UHFFFAOYSA-N |
| Molecular Formula | C10H7FS |
4,4,5,5-Tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane 98.0+%, TCI America™
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CAS: 827614-70-0 Molecular Formula: C12H14BF3O2 Molecular Weight (g/mol): 258.047 MDL Number: MFCD05663885 InChI Key: VFCTUUBAONBDJU-UHFFFAOYSA-N Synonym: 3,4,5-Trifluorophenylboronic Acid Pinacol Ester, 1,2,3-Trifluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene PubChem CID: 2760701 IUPAC Name: 4,4,5,5-tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)F)F)F
| PubChem CID | 2760701 |
|---|---|
| CAS | 827614-70-0 |
| Molecular Weight (g/mol) | 258.047 |
| MDL Number | MFCD05663885 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)F)F)F |
| Synonym | 3,4,5-Trifluorophenylboronic Acid Pinacol Ester, 1,2,3-Trifluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene |
| IUPAC Name | 4,4,5,5-tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane |
| InChI Key | VFCTUUBAONBDJU-UHFFFAOYSA-N |
| Molecular Formula | C12H14BF3O2 |
1-Chloro-4-nitronaphthalene 98.0+%, TCI America™
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CAS: 605-61-8 Molecular Formula: C10H6ClNO2 Molecular Weight (g/mol): 207.613 MDL Number: MFCD00465088 InChI Key: QLIOCENRPBJEPI-UHFFFAOYSA-N Synonym: 4-Nitro-1-chloronaphthalene PubChem CID: 312719 IUPAC Name: 1-chloro-4-nitronaphthalene SMILES: C1=CC=C2C(=C1)C(=CC=C2Cl)[N+](=O)[O-]
| PubChem CID | 312719 |
|---|---|
| CAS | 605-61-8 |
| Molecular Weight (g/mol) | 207.613 |
| MDL Number | MFCD00465088 |
| SMILES | C1=CC=C2C(=C1)C(=CC=C2Cl)[N+](=O)[O-] |
| Synonym | 4-Nitro-1-chloronaphthalene |
| IUPAC Name | 1-chloro-4-nitronaphthalene |
| InChI Key | QLIOCENRPBJEPI-UHFFFAOYSA-N |
| Molecular Formula | C10H6ClNO2 |
4-Acetylindan 98.0+%, TCI America™
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CAS: 38997-97-6 Molecular Formula: C11H12O Molecular Weight (g/mol): 160.216 MDL Number: MFCD09033715 InChI Key: FPHUGFGBPNVMQR-UHFFFAOYSA-N PubChem CID: 13657961 IUPAC Name: 1-(2,3-dihydro-1H-inden-4-yl)ethanone SMILES: CC(=O)C1=C2CCCC2=CC=C1
| PubChem CID | 13657961 |
|---|---|
| CAS | 38997-97-6 |
| Molecular Weight (g/mol) | 160.216 |
| MDL Number | MFCD09033715 |
| SMILES | CC(=O)C1=C2CCCC2=CC=C1 |
| IUPAC Name | 1-(2,3-dihydro-1H-inden-4-yl)ethanone |
| InChI Key | FPHUGFGBPNVMQR-UHFFFAOYSA-N |
| Molecular Formula | C11H12O |
4-Bromotoluene 99.0+%, TCI America™
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CAS: 106-38-7 Molecular Formula: C7H7Br Molecular Weight (g/mol): 171.04 MDL Number: MFCD00000109 InChI Key: ZBTMRBYMKUEVEU-UHFFFAOYSA-N Synonym: 4-bromotoluene,p-bromotoluene,4-methylbromobenzene,p-tolyl bromide,benzene, 1-bromo-4-methyl,toluene, p-bromo,p-methylphenyl bromide,p-methylbromobenzene,1-methyl-4-bromobenzene,4-bromo-1-methylbenzene PubChem CID: 7805 IUPAC Name: 1-bromo-4-methylbenzene SMILES: CC1=CC=C(Br)C=C1
| PubChem CID | 7805 |
|---|---|
| CAS | 106-38-7 |
| Molecular Weight (g/mol) | 171.04 |
| MDL Number | MFCD00000109 |
| SMILES | CC1=CC=C(Br)C=C1 |
| Synonym | 4-bromotoluene,p-bromotoluene,4-methylbromobenzene,p-tolyl bromide,benzene, 1-bromo-4-methyl,toluene, p-bromo,p-methylphenyl bromide,p-methylbromobenzene,1-methyl-4-bromobenzene,4-bromo-1-methylbenzene |
| IUPAC Name | 1-bromo-4-methylbenzene |
| InChI Key | ZBTMRBYMKUEVEU-UHFFFAOYSA-N |
| Molecular Formula | C7H7Br |
2-Benzyloxy-1,3-propanediol 97.0+%, TCI America™
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CAS: 14690-00-7 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.219 MDL Number: MFCD00075493 InChI Key: UDIPIOHLDFSMLR-UHFFFAOYSA-N Synonym: 2-O-Benzylglycerol, Glycerol 2-Benzyl Ether PubChem CID: 203567 IUPAC Name: 2-phenylmethoxypropane-1,3-diol SMILES: C1=CC=C(C=C1)COC(CO)CO
| PubChem CID | 203567 |
|---|---|
| CAS | 14690-00-7 |
| Molecular Weight (g/mol) | 182.219 |
| MDL Number | MFCD00075493 |
| SMILES | C1=CC=C(C=C1)COC(CO)CO |
| Synonym | 2-O-Benzylglycerol, Glycerol 2-Benzyl Ether |
| IUPAC Name | 2-phenylmethoxypropane-1,3-diol |
| InChI Key | UDIPIOHLDFSMLR-UHFFFAOYSA-N |
| Molecular Formula | C10H14O3 |
Hexyl Benzoate 98.0+%, TCI America™
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CAS: 6789-88-4 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00051714 InChI Key: UUGLJVMIFJNVFH-UHFFFAOYSA-N Synonym: benzoic acid, hexyl ester,benzoic acid n-hexyl ester,n-hexylbenzoate,n-hexyl benzoate,1-hexyl benzoate,hexylbenzoate,hexylester kyseliny benzoove,benzoic acid hexyl ester,unii-vr3c36ekjr,fema no. 3691 PubChem CID: 23235 IUPAC Name: hexyl benzoate SMILES: CCCCCCOC(=O)C1=CC=CC=C1
| PubChem CID | 23235 |
|---|---|
| CAS | 6789-88-4 |
| Molecular Weight (g/mol) | 206.285 |
| MDL Number | MFCD00051714 |
| SMILES | CCCCCCOC(=O)C1=CC=CC=C1 |
| Synonym | benzoic acid, hexyl ester,benzoic acid n-hexyl ester,n-hexylbenzoate,n-hexyl benzoate,1-hexyl benzoate,hexylbenzoate,hexylester kyseliny benzoove,benzoic acid hexyl ester,unii-vr3c36ekjr,fema no. 3691 |
| IUPAC Name | hexyl benzoate |
| InChI Key | UUGLJVMIFJNVFH-UHFFFAOYSA-N |
| Molecular Formula | C13H18O2 |
2,6-Di-tert-butyl-4-methoxyphenol 98.0+%, TCI America™
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CAS: 489-01-0 Molecular Formula: C15H24O2 Molecular Weight (g/mol): 236.355 MDL Number: MFCD00008824 InChI Key: SLUKQUGVTITNSY-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-4-methoxyphenol,3,5-di-tert-butyl-4-hydroxyanisole,topanol 354,phenol, 2,6-bis 1,1-dimethylethyl-4-methoxy,3,5-di-t-butyl-4-hydroxyanisole,unii-616072tmxy,ccris 5219,2,6-bis 1,1-dimethylethyl-4-methoxyphenol,phenol, 2,6-di-tert-butyl-4-methoxy,chembl98253 PubChem CID: 10269 IUPAC Name: 2,6-ditert-butyl-4-methoxyphenol SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)OC
| PubChem CID | 10269 |
|---|---|
| CAS | 489-01-0 |
| Molecular Weight (g/mol) | 236.355 |
| MDL Number | MFCD00008824 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)OC |
| Synonym | 2,6-di-tert-butyl-4-methoxyphenol,3,5-di-tert-butyl-4-hydroxyanisole,topanol 354,phenol, 2,6-bis 1,1-dimethylethyl-4-methoxy,3,5-di-t-butyl-4-hydroxyanisole,unii-616072tmxy,ccris 5219,2,6-bis 1,1-dimethylethyl-4-methoxyphenol,phenol, 2,6-di-tert-butyl-4-methoxy,chembl98253 |
| IUPAC Name | 2,6-ditert-butyl-4-methoxyphenol |
| InChI Key | SLUKQUGVTITNSY-UHFFFAOYSA-N |
| Molecular Formula | C15H24O2 |
N-(4-Methoxybenzylidene)-4-butylaniline 98.0+%, TCI America™
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CAS: 26227-73-6 Molecular Formula: C18H21NO Molecular Weight (g/mol): 267.37 MDL Number: MFCD00009464 InChI Key: FEIWNULTQYHCDN-UHFFFAOYSA-N Synonym: mbba,n-4-methoxybenzylidene-4-butylaniline,n-p-methoxybenzylidene-p-butylaniline,unii-s586t4jync,benzenamine, 4-butyl-n-4-methoxyphenyl methylene,4-methoxybenzylidene-4'-n-butylaniline,ccris 4668,unii-gew7i7nn51,4-butyl-n-4-methoxyphenyl methylene benzenamine,gew7i7nn51 PubChem CID: 33363 IUPAC Name: N-(4-butylphenyl)-1-(4-methoxyphenyl)methanimine SMILES: CCCCC1=CC=C(C=C1)N=CC1=CC=C(OC)C=C1
| PubChem CID | 33363 |
|---|---|
| CAS | 26227-73-6 |
| Molecular Weight (g/mol) | 267.37 |
| MDL Number | MFCD00009464 |
| SMILES | CCCCC1=CC=C(C=C1)N=CC1=CC=C(OC)C=C1 |
| Synonym | mbba,n-4-methoxybenzylidene-4-butylaniline,n-p-methoxybenzylidene-p-butylaniline,unii-s586t4jync,benzenamine, 4-butyl-n-4-methoxyphenyl methylene,4-methoxybenzylidene-4'-n-butylaniline,ccris 4668,unii-gew7i7nn51,4-butyl-n-4-methoxyphenyl methylene benzenamine,gew7i7nn51 |
| IUPAC Name | N-(4-butylphenyl)-1-(4-methoxyphenyl)methanimine |
| InChI Key | FEIWNULTQYHCDN-UHFFFAOYSA-N |
| Molecular Formula | C18H21NO |
2-Iodo-5-nitrotoluene 96.0+%, TCI America™
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CAS: 5326-38-5 Molecular Formula: C7H6INO2 Molecular Weight (g/mol): 263.03 MDL Number: MFCD00051517 InChI Key: ARJHCXYRCLMLQN-UHFFFAOYSA-N Synonym: 2-iodo-5-nitrotoluene,benzene, 1-iodo-2-methyl-4-nitro,1-iodo-2-methyl-4-nitro-benzene,acmc-1amrp,2-jod-5-nitro-1-methylbenzol,benzene,1-iodo-2-methyl-4-nitro PubChem CID: 79225 IUPAC Name: 1-iodo-2-methyl-4-nitrobenzene SMILES: CC1=CC(=CC=C1I)[N+]([O-])=O
| PubChem CID | 79225 |
|---|---|
| CAS | 5326-38-5 |
| Molecular Weight (g/mol) | 263.03 |
| MDL Number | MFCD00051517 |
| SMILES | CC1=CC(=CC=C1I)[N+]([O-])=O |
| Synonym | 2-iodo-5-nitrotoluene,benzene, 1-iodo-2-methyl-4-nitro,1-iodo-2-methyl-4-nitro-benzene,acmc-1amrp,2-jod-5-nitro-1-methylbenzol,benzene,1-iodo-2-methyl-4-nitro |
| IUPAC Name | 1-iodo-2-methyl-4-nitrobenzene |
| InChI Key | ARJHCXYRCLMLQN-UHFFFAOYSA-N |
| Molecular Formula | C7H6INO2 |
4-(1,1,2,2-Tetrafluoroethoxy)benzoic Acid 98.0+%, TCI America™
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CAS: 10009-25-3 Molecular Formula: C9H6F4O3 Molecular Weight (g/mol): 238.14 MDL Number: MFCD00155926 InChI Key: SVGWTILJZWYEMD-UHFFFAOYSA-N PubChem CID: 2776639 IUPAC Name: 4-(1,1,2,2-tetrafluoroethoxy)benzoic acid SMILES: OC(=O)C1=CC=C(OC(F)(F)C(F)F)C=C1
| PubChem CID | 2776639 |
|---|---|
| CAS | 10009-25-3 |
| Molecular Weight (g/mol) | 238.14 |
| MDL Number | MFCD00155926 |
| SMILES | OC(=O)C1=CC=C(OC(F)(F)C(F)F)C=C1 |
| IUPAC Name | 4-(1,1,2,2-tetrafluoroethoxy)benzoic acid |
| InChI Key | SVGWTILJZWYEMD-UHFFFAOYSA-N |
| Molecular Formula | C9H6F4O3 |
Bis(4-fluorophenyl) Sulfone 99.0+%, TCI America™
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CAS: 383-29-9 Molecular Formula: C12H8F2O2S Molecular Weight (g/mol): 254.25 MDL Number: MFCD00000350 InChI Key: PLVUIVUKKJTSDM-UHFFFAOYSA-N Synonym: 4-fluorophenyl sulfone,bis p-fluorophenyl sulfone,4,4'-sulfonylbis fluorobenzene,bis 4-fluorophenyl sulfone,4,4'-difluorodiphenyl sulfone,4-fluorophenyl sulphone,4-fluorophenylsulfone,benzene, 1,1'-sulfonylbis 4-fluoro,4,4'-difluorodiphenyl sulphone PubChem CID: 67842 IUPAC Name: 1-fluoro-4-(4-fluorobenzenesulfonyl)benzene SMILES: FC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(F)C=C1
| PubChem CID | 67842 |
|---|---|
| CAS | 383-29-9 |
| Molecular Weight (g/mol) | 254.25 |
| MDL Number | MFCD00000350 |
| SMILES | FC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(F)C=C1 |
| Synonym | 4-fluorophenyl sulfone,bis p-fluorophenyl sulfone,4,4'-sulfonylbis fluorobenzene,bis 4-fluorophenyl sulfone,4,4'-difluorodiphenyl sulfone,4-fluorophenyl sulphone,4-fluorophenylsulfone,benzene, 1,1'-sulfonylbis 4-fluoro,4,4'-difluorodiphenyl sulphone |
| IUPAC Name | 1-fluoro-4-(4-fluorobenzenesulfonyl)benzene |
| InChI Key | PLVUIVUKKJTSDM-UHFFFAOYSA-N |
| Molecular Formula | C12H8F2O2S |
3-Methoxyphenylacetonitrile 98.0+%, TCI America™
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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 |
Ethyl (Phenylthio)acetate 97.0+%, TCI America™
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CAS: 7605-25-6 Molecular Formula: C10H12O2S Molecular Weight (g/mol): 196.264 MDL Number: MFCD00145107 InChI Key: SEDRTXNDGKRHBL-UHFFFAOYSA-N Synonym: ethyl phenylthio acetate,ethyl 2-phenylthio acetate,ethyl 2-phenylsulfanyl acetate,acetic acid, phenylthio-, ethyl ester,ethyl 2-phenylthioacetate,phenylthio acetic acid ethyl ester,phenylthio acetic acid, ethyl ester,ethyl phenylsulfanyl acetate,pubchem10853 PubChem CID: 97312 IUPAC Name: ethyl 2-phenylsulfanylacetate SMILES: CCOC(=O)CSC1=CC=CC=C1
| PubChem CID | 97312 |
|---|---|
| CAS | 7605-25-6 |
| Molecular Weight (g/mol) | 196.264 |
| MDL Number | MFCD00145107 |
| SMILES | CCOC(=O)CSC1=CC=CC=C1 |
| Synonym | ethyl phenylthio acetate,ethyl 2-phenylthio acetate,ethyl 2-phenylsulfanyl acetate,acetic acid, phenylthio-, ethyl ester,ethyl 2-phenylthioacetate,phenylthio acetic acid ethyl ester,phenylthio acetic acid, ethyl ester,ethyl phenylsulfanyl acetate,pubchem10853 |
| IUPAC Name | ethyl 2-phenylsulfanylacetate |
| InChI Key | SEDRTXNDGKRHBL-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2S |
4-Bromo-2,6-difluoroaniline 98.0+%, TCI America™
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CAS: 67567-26-4 Molecular Formula: C6H4BrF2N Molecular Weight (g/mol): 208.006 MDL Number: MFCD00013389 InChI Key: BFQSQUAVMNHOEF-UHFFFAOYSA-N Synonym: 2,6-difluoro-4-bromoaniline,4-bromo-2,6-difluorobenzenamine,benzenamine, 4-bromo-2,6-difluoro,4-bromo-2,6-difluoro-phenylamine,4-bromo-2,6-difluoro-aniline,4-bromo-2,6-difluorophenylamine,buttpark 22\07-66,4-bromo-2,6-difluorophenyl amine,pubchem2929,acmc-1begp PubChem CID: 610191 IUPAC Name: 4-bromo-2,6-difluoroaniline SMILES: C1=C(C=C(C(=C1F)N)F)Br
| PubChem CID | 610191 |
|---|---|
| CAS | 67567-26-4 |
| Molecular Weight (g/mol) | 208.006 |
| MDL Number | MFCD00013389 |
| SMILES | C1=C(C=C(C(=C1F)N)F)Br |
| Synonym | 2,6-difluoro-4-bromoaniline,4-bromo-2,6-difluorobenzenamine,benzenamine, 4-bromo-2,6-difluoro,4-bromo-2,6-difluoro-phenylamine,4-bromo-2,6-difluoro-aniline,4-bromo-2,6-difluorophenylamine,buttpark 22\07-66,4-bromo-2,6-difluorophenyl amine,pubchem2929,acmc-1begp |
| IUPAC Name | 4-bromo-2,6-difluoroaniline |
| InChI Key | BFQSQUAVMNHOEF-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrF2N |