Benzenoids
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3-Bromobenzyl Chloride 98.0+%, TCI America™
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CAS: 932-77-4 Molecular Formula: C7H6BrCl Molecular Weight (g/mol): 205.479 MDL Number: MFCD00040865 InChI Key: UDKGXKYEWBGQCG-UHFFFAOYSA-N Synonym: 3-bromobenzyl chloride,1-bromo-3-chloromethyl benzene,3-bromo-alpha-chlorotoluene,m-bromobenzyl chloride,benzene, 1-bromo-3-chloromethyl,3-bromo-a-chlorotoluene,3-bromobenzylchloride,pubchem23319,acmc-209rkw,bromo-3-chloromethyl-benzene PubChem CID: 523059 IUPAC Name: 1-bromo-3-(chloromethyl)benzene SMILES: C1=CC(=CC(=C1)Br)CCl
| PubChem CID | 523059 |
|---|---|
| CAS | 932-77-4 |
| Molecular Weight (g/mol) | 205.479 |
| MDL Number | MFCD00040865 |
| SMILES | C1=CC(=CC(=C1)Br)CCl |
| Synonym | 3-bromobenzyl chloride,1-bromo-3-chloromethyl benzene,3-bromo-alpha-chlorotoluene,m-bromobenzyl chloride,benzene, 1-bromo-3-chloromethyl,3-bromo-a-chlorotoluene,3-bromobenzylchloride,pubchem23319,acmc-209rkw,bromo-3-chloromethyl-benzene |
| IUPAC Name | 1-bromo-3-(chloromethyl)benzene |
| InChI Key | UDKGXKYEWBGQCG-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrCl |
2,6-Difluoro-4-hydroxybenzoic Acid 98.0+%, TCI America™
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CAS: 214917-68-7 Molecular Formula: C7H4F2O3 Molecular Weight (g/mol): 174.10 MDL Number: MFCD03094500 InChI Key: NFIQGYBXSJQLSR-UHFFFAOYSA-N Synonym: 2,6-difluoro-4-hydroxy-benzoic acid,benzoic acid, 2,6-difluoro-4-hydroxy,pubchem4938,acmc-1cles,ksc495o6f,4-carboxy-3,5-difluorophenol PubChem CID: 2778776 IUPAC Name: 2,6-difluoro-4-hydroxybenzoic acid SMILES: OC(=O)C1=C(F)C=C(O)C=C1F
| PubChem CID | 2778776 |
|---|---|
| CAS | 214917-68-7 |
| Molecular Weight (g/mol) | 174.10 |
| MDL Number | MFCD03094500 |
| SMILES | OC(=O)C1=C(F)C=C(O)C=C1F |
| Synonym | 2,6-difluoro-4-hydroxy-benzoic acid,benzoic acid, 2,6-difluoro-4-hydroxy,pubchem4938,acmc-1cles,ksc495o6f,4-carboxy-3,5-difluorophenol |
| IUPAC Name | 2,6-difluoro-4-hydroxybenzoic acid |
| InChI Key | NFIQGYBXSJQLSR-UHFFFAOYSA-N |
| Molecular Formula | C7H4F2O3 |
N-(tert-Butoxycarbonyl)-O-benzyl-L-threonine 98.0+%, TCI America™
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CAS: 15260-10-3 Molecular Formula: C16H23NO5 Molecular Weight (g/mol): 309.36 MDL Number: MFCD00066062 InChI Key: CTXPLTPDOISPTE-YPMHNXCESA-N Synonym: boc-thr bzl-oh,boc-o-benzyl-l-threonine,n-tert-butoxycarbonyl-o-benzyl-l-threonine,n-boc-o-benzyl-l-threonine,boc-thr bzl,o-benzyl-n-tert-butoxycarbonyl-l-threonine,n-1,1-dimethylethoxy carbonyl-o-phenylmethyl-l-threonine,l-threonine, n-1,1-dimethylethoxy carbonyl-o-phenylmethyl,2s,3r-2-2-methylpropan-2-yl oxycarbonylamino-3-phenylmethoxybutanoic acid PubChem CID: 1549483 IUPAC Name: (2S,3R)-3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}butanoic acid SMILES: C[C@@H](OCC1=CC=CC=C1)[C@H](NC(=O)OC(C)(C)C)C(O)=O
| PubChem CID | 1549483 |
|---|---|
| CAS | 15260-10-3 |
| Molecular Weight (g/mol) | 309.36 |
| MDL Number | MFCD00066062 |
| SMILES | C[C@@H](OCC1=CC=CC=C1)[C@H](NC(=O)OC(C)(C)C)C(O)=O |
| Synonym | boc-thr bzl-oh,boc-o-benzyl-l-threonine,n-tert-butoxycarbonyl-o-benzyl-l-threonine,n-boc-o-benzyl-l-threonine,boc-thr bzl,o-benzyl-n-tert-butoxycarbonyl-l-threonine,n-1,1-dimethylethoxy carbonyl-o-phenylmethyl-l-threonine,l-threonine, n-1,1-dimethylethoxy carbonyl-o-phenylmethyl,2s,3r-2-2-methylpropan-2-yl oxycarbonylamino-3-phenylmethoxybutanoic acid |
| IUPAC Name | (2S,3R)-3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}butanoic acid |
| InChI Key | CTXPLTPDOISPTE-YPMHNXCESA-N |
| Molecular Formula | C16H23NO5 |
Ethyl O-Mesitylsulfonylacetohydroxamate 98.0+%, TCI America™
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CAS: 38202-27-6 Molecular Formula: C13H19NO4S Molecular Weight (g/mol): 285.358 MDL Number: MFCD00009244 InChI Key: KQCBSWBQAXTILK-WYMLVPIESA-N Synonym: ethyl o-mesitylsulfonylacetohydroxamate,ethyl n-mesitylsulfonyl oxyacetimidate,ethyl o-methylsulphonylacetohydroxamate,ethyl o-2-mesitylenesulfonyl acethydroxamate,o-mesitylsulfonylacetohydroxamic acid ethyl ester,ethyl 1z-n-mesitylsulfonyl oxy ethanimidoate,ethyl 1e-n-2,4,6-trimethylphenyl sulfonyloxyethanimidate,kqcbswbqaxtilk-owbhpgmisa-n,z-ethyl n-mesitylsulfonyloxyacetimidate,z-ethyl n-mesitylsulfonyl oxyacetimidate PubChem CID: 6282444 IUPAC Name: ethyl (1E)-N-(2,4,6-trimethylphenyl)sulfonyloxyethanimidate SMILES: CCOC(=NOS(=O)(=O)C1=C(C=C(C=C1C)C)C)C
| PubChem CID | 6282444 |
|---|---|
| CAS | 38202-27-6 |
| Molecular Weight (g/mol) | 285.358 |
| MDL Number | MFCD00009244 |
| SMILES | CCOC(=NOS(=O)(=O)C1=C(C=C(C=C1C)C)C)C |
| Synonym | ethyl o-mesitylsulfonylacetohydroxamate,ethyl n-mesitylsulfonyl oxyacetimidate,ethyl o-methylsulphonylacetohydroxamate,ethyl o-2-mesitylenesulfonyl acethydroxamate,o-mesitylsulfonylacetohydroxamic acid ethyl ester,ethyl 1z-n-mesitylsulfonyl oxy ethanimidoate,ethyl 1e-n-2,4,6-trimethylphenyl sulfonyloxyethanimidate,kqcbswbqaxtilk-owbhpgmisa-n,z-ethyl n-mesitylsulfonyloxyacetimidate,z-ethyl n-mesitylsulfonyl oxyacetimidate |
| IUPAC Name | ethyl (1E)-N-(2,4,6-trimethylphenyl)sulfonyloxyethanimidate |
| InChI Key | KQCBSWBQAXTILK-WYMLVPIESA-N |
| Molecular Formula | C13H19NO4S |
4-Cyclohexylbenzoic Acid 98.0+%, TCI America™
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CAS: 20029-52-1 Molecular Formula: C13H16O2 Molecular Weight (g/mol): 204.269 MDL Number: MFCD00039459 InChI Key: QCIWHVKGVVQHIY-UHFFFAOYSA-N Synonym: 4-cyclohexyl-benzoic acid,benzoic acid, 4-cyclohexyl,4cyclohexylbenzoic acid,4-cyclohexylbenzoicacid,p-cyclohexylbenzoic acid,acmc-1cmbu,cyclohexybenzoicacid,4-carboxyphenyl cyclohexane PubChem CID: 88337 IUPAC Name: 4-cyclohexylbenzoic acid SMILES: C1CCC(CC1)C2=CC=C(C=C2)C(=O)O
| PubChem CID | 88337 |
|---|---|
| CAS | 20029-52-1 |
| Molecular Weight (g/mol) | 204.269 |
| MDL Number | MFCD00039459 |
| SMILES | C1CCC(CC1)C2=CC=C(C=C2)C(=O)O |
| Synonym | 4-cyclohexyl-benzoic acid,benzoic acid, 4-cyclohexyl,4cyclohexylbenzoic acid,4-cyclohexylbenzoicacid,p-cyclohexylbenzoic acid,acmc-1cmbu,cyclohexybenzoicacid,4-carboxyphenyl cyclohexane |
| IUPAC Name | 4-cyclohexylbenzoic acid |
| InChI Key | QCIWHVKGVVQHIY-UHFFFAOYSA-N |
| Molecular Formula | C13H16O2 |
2-(3-Bromophenyl)-1,3-dioxolane 97.0+%, TCI America™
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CAS: 17789-14-9 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00003209 InChI Key: VYPYKCPWNPPBBX-UHFFFAOYSA-N Synonym: 2-3-bromophenyl-1,3-dioxolane,3-bromobenzaldehyde ethylene acetal,1,3-dioxolane, 2-3-bromophenyl,1-bromo-3-1,3-dioxolan-2-yl benzene,2-m-bromophenyl-1,3-dioxolane,m-bromobenzaldehyde ethylene acetal,pubchem3730,2-3-bromophenyl dioxolane,acmc-1c8q7,ksc496m7r PubChem CID: 87306 IUPAC Name: 2-(3-bromophenyl)-1,3-dioxolane SMILES: C1COC(O1)C2=CC(=CC=C2)Br
| PubChem CID | 87306 |
|---|---|
| CAS | 17789-14-9 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD00003209 |
| SMILES | C1COC(O1)C2=CC(=CC=C2)Br |
| Synonym | 2-3-bromophenyl-1,3-dioxolane,3-bromobenzaldehyde ethylene acetal,1,3-dioxolane, 2-3-bromophenyl,1-bromo-3-1,3-dioxolan-2-yl benzene,2-m-bromophenyl-1,3-dioxolane,m-bromobenzaldehyde ethylene acetal,pubchem3730,2-3-bromophenyl dioxolane,acmc-1c8q7,ksc496m7r |
| IUPAC Name | 2-(3-bromophenyl)-1,3-dioxolane |
| InChI Key | VYPYKCPWNPPBBX-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
4-(Bromomethyl)phenylacetic Acid 98.0+%, TCI America™
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CAS: 13737-36-5 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00010632 InChI Key: WCOCCXZFEJGHTC-UHFFFAOYSA-N Synonym: 4-bromomethyl phenylacetic acid,4-bromomethylphenylacetic acid,2-4-bromomethyl phenyl acetic acid,pam acid,br-pam-linker,4-carboxymethyl benzyl bromide,4-bromomethyl phenyl acetic acid,4-bromomethyl phenylaceticacid PubChem CID: 4519056 IUPAC Name: 2-[4-(bromomethyl)phenyl]acetic acid SMILES: C1=CC(=CC=C1CC(=O)O)CBr
| PubChem CID | 4519056 |
|---|---|
| CAS | 13737-36-5 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD00010632 |
| SMILES | C1=CC(=CC=C1CC(=O)O)CBr |
| Synonym | 4-bromomethyl phenylacetic acid,4-bromomethylphenylacetic acid,2-4-bromomethyl phenyl acetic acid,pam acid,br-pam-linker,4-carboxymethyl benzyl bromide,4-bromomethyl phenyl acetic acid,4-bromomethyl phenylaceticacid |
| IUPAC Name | 2-[4-(bromomethyl)phenyl]acetic acid |
| InChI Key | WCOCCXZFEJGHTC-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
2-Cyclohexylphenol 97.0+%, TCI America™
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CAS: 119-42-6 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.259 MDL Number: MFCD00019335 InChI Key: MVRPPTGLVPEMPI-UHFFFAOYSA-N Synonym: 2-Hydroxyphenylcyclohexane PubChem CID: 8396 IUPAC Name: 2-cyclohexylphenol SMILES: C1CCC(CC1)C2=CC=CC=C2O
| PubChem CID | 8396 |
|---|---|
| CAS | 119-42-6 |
| Molecular Weight (g/mol) | 176.259 |
| MDL Number | MFCD00019335 |
| SMILES | C1CCC(CC1)C2=CC=CC=C2O |
| Synonym | 2-Hydroxyphenylcyclohexane |
| IUPAC Name | 2-cyclohexylphenol |
| InChI Key | MVRPPTGLVPEMPI-UHFFFAOYSA-N |
| Molecular Formula | C12H16O |
4-Amino-3-methylbenzoic Acid 98.0+%, TCI America™
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CAS: 2486-70-6 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 InChI Key: NHFKECPTBZZFBC-UHFFFAOYSA-N Synonym: 3-methyl-4-aminobenzoic acid,4-amino-m-toluic acid,benzoic acid, 4-amino-3-methyl,4-amino-3-methyl benzoic acid,4-amino-3-methyl benzoate,4-amino-3-methylbenzoicacid,unii-201cxt4h5v,4-amino-3-methyl-benzoic acid,benzoic acid, 3-methyl-4-amino,4-amino-3-methylbenzenecarboxylic acid PubChem CID: 75598 IUPAC Name: 4-amino-3-methylbenzoic acid SMILES: CC1=C(C=CC(=C1)C(=O)O)N
| PubChem CID | 75598 |
|---|---|
| CAS | 2486-70-6 |
| Molecular Weight (g/mol) | 151.165 |
| SMILES | CC1=C(C=CC(=C1)C(=O)O)N |
| Synonym | 3-methyl-4-aminobenzoic acid,4-amino-m-toluic acid,benzoic acid, 4-amino-3-methyl,4-amino-3-methyl benzoic acid,4-amino-3-methyl benzoate,4-amino-3-methylbenzoicacid,unii-201cxt4h5v,4-amino-3-methyl-benzoic acid,benzoic acid, 3-methyl-4-amino,4-amino-3-methylbenzenecarboxylic acid |
| IUPAC Name | 4-amino-3-methylbenzoic acid |
| InChI Key | NHFKECPTBZZFBC-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
2-Chloro-4-hydroxybenzoic Acid 98.0+%, TCI America™
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CAS: 56363-84-9 Molecular Formula: C7H5ClO3 Molecular Weight (g/mol): 172.56 MDL Number: MFCD00798116 InChI Key: WIPYZRZPNMUSER-UHFFFAOYSA-N Synonym: benzoic acid, 2-chloro-4-hydroxy,2-chloro-4-hydroxy-benzoic acid,2-chloro-4-hyroxybenzoic acid,pubchem4561,acmc-1b14n,ksc497o6l,4-hydroxy-2-chlorobenzoic acid,wipyzrzpnmuser-uhfffaoysa PubChem CID: 91821 IUPAC Name: 2-chloro-4-hydroxybenzoic acid SMILES: OC(=O)C1=CC=C(O)C=C1Cl
| PubChem CID | 91821 |
|---|---|
| CAS | 56363-84-9 |
| Molecular Weight (g/mol) | 172.56 |
| MDL Number | MFCD00798116 |
| SMILES | OC(=O)C1=CC=C(O)C=C1Cl |
| Synonym | benzoic acid, 2-chloro-4-hydroxy,2-chloro-4-hydroxy-benzoic acid,2-chloro-4-hyroxybenzoic acid,pubchem4561,acmc-1b14n,ksc497o6l,4-hydroxy-2-chlorobenzoic acid,wipyzrzpnmuser-uhfffaoysa |
| IUPAC Name | 2-chloro-4-hydroxybenzoic acid |
| InChI Key | WIPYZRZPNMUSER-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO3 |
Disodium 2,6-Naphthalenedisulfonate 90.0+%, TCI America™
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CAS: 1655-45-4 Molecular Formula: C10H6Na2O6S2 Molecular Weight (g/mol): 332.252 MDL Number: MFCD00004092 InChI Key: WZZLWPIYWZEJOX-UHFFFAOYSA-L Synonym: 2,6-naphthalenedisulfonic acid disodium salt,sodium naphthalene-2,6-disulfonate,disodium 2,6-naphthalenedisulfonate,disodium naphthalene-2,6-disulphonate,2,6-naphthalenedisulfonic acid, disodium salt,ebert-merz beta-acid disodium salt,disodium naphthalene-2,6-disulfonate,dipotassium 2,6-naphthalenedisulfonate,acmc-209dsq,ksc910s4f PubChem CID: 3014027 IUPAC Name: disodium;naphthalene-2,6-disulfonate SMILES: C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1S(=O)(=O)[O-].[Na+].[Na+]
| PubChem CID | 3014027 |
|---|---|
| CAS | 1655-45-4 |
| Molecular Weight (g/mol) | 332.252 |
| MDL Number | MFCD00004092 |
| SMILES | C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1S(=O)(=O)[O-].[Na+].[Na+] |
| Synonym | 2,6-naphthalenedisulfonic acid disodium salt,sodium naphthalene-2,6-disulfonate,disodium 2,6-naphthalenedisulfonate,disodium naphthalene-2,6-disulphonate,2,6-naphthalenedisulfonic acid, disodium salt,ebert-merz beta-acid disodium salt,disodium naphthalene-2,6-disulfonate,dipotassium 2,6-naphthalenedisulfonate,acmc-209dsq,ksc910s4f |
| IUPAC Name | disodium;naphthalene-2,6-disulfonate |
| InChI Key | WZZLWPIYWZEJOX-UHFFFAOYSA-L |
| Molecular Formula | C10H6Na2O6S2 |
3-Fluoroaniline 98.0+%, TCI America™
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CAS: 372-19-0 Molecular Formula: C6H6FN Molecular Weight (g/mol): 111.119 MDL Number: MFCD00007758 InChI Key: QZVQQUVWFIZUBQ-UHFFFAOYSA-N Synonym: m-fluoroaniline,1-amino-3-fluorobenzene,3-fluoranilin,benzenamine, 3-fluoro,3-fluorobenzenamine,3-fluoro-phenylamine,aniline, 3-fluoro,3-fluorophenylamine,aniline, m-fluoro,3-fluoranilin czech PubChem CID: 9742 ChEBI: CHEBI:27873 IUPAC Name: 3-fluoroaniline SMILES: C1=CC(=CC(=C1)F)N
| PubChem CID | 9742 |
|---|---|
| CAS | 372-19-0 |
| Molecular Weight (g/mol) | 111.119 |
| ChEBI | CHEBI:27873 |
| MDL Number | MFCD00007758 |
| SMILES | C1=CC(=CC(=C1)F)N |
| Synonym | m-fluoroaniline,1-amino-3-fluorobenzene,3-fluoranilin,benzenamine, 3-fluoro,3-fluorobenzenamine,3-fluoro-phenylamine,aniline, 3-fluoro,3-fluorophenylamine,aniline, m-fluoro,3-fluoranilin czech |
| IUPAC Name | 3-fluoroaniline |
| InChI Key | QZVQQUVWFIZUBQ-UHFFFAOYSA-N |
| Molecular Formula | C6H6FN |
(3-Chloro-4-fluorophenyl)thiourea 98.0+%, TCI America™
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CAS: 154371-25-2 Molecular Formula: C7H6ClFN2S Molecular Weight (g/mol): 204.65 MDL Number: MFCD01571081 InChI Key: OVJVZVPEMXLKOE-UHFFFAOYSA-N PubChem CID: 704698 IUPAC Name: (3-chloro-4-fluorophenyl)thiourea SMILES: NC(=S)NC1=CC(Cl)=C(F)C=C1
| PubChem CID | 704698 |
|---|---|
| CAS | 154371-25-2 |
| Molecular Weight (g/mol) | 204.65 |
| MDL Number | MFCD01571081 |
| SMILES | NC(=S)NC1=CC(Cl)=C(F)C=C1 |
| IUPAC Name | (3-chloro-4-fluorophenyl)thiourea |
| InChI Key | OVJVZVPEMXLKOE-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClFN2S |
(1S,2S)-2-(Anthracene-2,3-dicarboximido)cyclohexanecarboxylic Acid 97.0+%, TCI America™
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CAS: 446044-45-7 Molecular Formula: C23H19NO4 Molecular Weight (g/mol): 373.408 InChI Key: IIJKRPVAVXANME-PXNSSMCTSA-N Synonym: N-[(1S,2S)-2-Carboxycyclohexyl]anthracene-2,3-dicarboximide PubChem CID: 44629755 IUPAC Name: (1S,2S)-2-(1,3-dioxonaphtho[2,3-f]isoindol-2-yl)cyclohexane-1-carboxylic acid SMILES: C1CCC(C(C1)C(=O)O)N2C(=O)C3=CC4=CC5=CC=CC=C5C=C4C=C3C2=O
| PubChem CID | 44629755 |
|---|---|
| CAS | 446044-45-7 |
| Molecular Weight (g/mol) | 373.408 |
| SMILES | C1CCC(C(C1)C(=O)O)N2C(=O)C3=CC4=CC5=CC=CC=C5C=C4C=C3C2=O |
| Synonym | N-[(1S,2S)-2-Carboxycyclohexyl]anthracene-2,3-dicarboximide |
| IUPAC Name | (1S,2S)-2-(1,3-dioxonaphtho[2,3-f]isoindol-2-yl)cyclohexane-1-carboxylic acid |
| InChI Key | IIJKRPVAVXANME-PXNSSMCTSA-N |
| Molecular Formula | C23H19NO4 |
1,3,5-Tris(4'-fluorobiphenyl-4-yl)benzene 95.0+%, TCI America™
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CAS: 372956-40-6 Molecular Formula: C42H27F3 Molecular Weight (g/mol): 588.673 InChI Key: KMIGKTQTBLIAJV-UHFFFAOYSA-N Synonym: 4,4′′′′-Difluoro-5′′-(4′-fluoro-[1,1′-biphenyl]-4-yl)-1,1′:4′,1′′:3′′,1′′′:4′′′,1′′′′-quinquephenyl PubChem CID: 11467407 IUPAC Name: 1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)F)C3=CC(=CC(=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)F)C6=CC=C(C=C6)C7=CC=C(C=C7)F
| PubChem CID | 11467407 |
|---|---|
| CAS | 372956-40-6 |
| Molecular Weight (g/mol) | 588.673 |
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)F)C3=CC(=CC(=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)F)C6=CC=C(C=C6)C7=CC=C(C=C7)F |
| Synonym | 4,4′′′′-Difluoro-5′′-(4′-fluoro-[1,1′-biphenyl]-4-yl)-1,1′:4′,1′′:3′′,1′′′:4′′′,1′′′′-quinquephenyl |
| IUPAC Name | 1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene |
| InChI Key | KMIGKTQTBLIAJV-UHFFFAOYSA-N |
| Molecular Formula | C42H27F3 |