Benzenoids
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4-Methylsalicylic Acid 99.0+%, TCI America™
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CAS: 50-85-1 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002454 InChI Key: NJESAXZANHETJV-UHFFFAOYSA-N Synonym: 4-methylsalicylic acid,m-cresotic acid,2,4-cresotic acid,m-cresotinic acid,2-hydroxy-p-toluic acid,m-homosalicylic acid,4-methyl-2-hydroxybenzoic acid,gamma-cresotic acid,benzoic acid, 2-hydroxy-4-methyl,4-methylsalicylate PubChem CID: 5788 ChEBI: CHEBI:20450 IUPAC Name: 2-hydroxy-4-methylbenzoic acid SMILES: CC1=CC(=C(C=C1)C(=O)O)O
| PubChem CID | 5788 |
|---|---|
| CAS | 50-85-1 |
| Molecular Weight (g/mol) | 152.149 |
| ChEBI | CHEBI:20450 |
| MDL Number | MFCD00002454 |
| SMILES | CC1=CC(=C(C=C1)C(=O)O)O |
| Synonym | 4-methylsalicylic acid,m-cresotic acid,2,4-cresotic acid,m-cresotinic acid,2-hydroxy-p-toluic acid,m-homosalicylic acid,4-methyl-2-hydroxybenzoic acid,gamma-cresotic acid,benzoic acid, 2-hydroxy-4-methyl,4-methylsalicylate |
| IUPAC Name | 2-hydroxy-4-methylbenzoic acid |
| InChI Key | NJESAXZANHETJV-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
4-Chloro-2-iodoaniline 98.0+%, TCI America™
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CAS: 63069-48-7 Molecular Formula: C6H5ClIN Molecular Weight (g/mol): 253.467 MDL Number: MFCD01863737 InChI Key: FLEJOBRWKBPUOX-UHFFFAOYSA-N Synonym: 2-iodo-4-chloroaniline,4-chloro-2-iodo-aniline,4-chloro-2-iodo-phenylamine,4-chloro-2-iodophenylamine,benzenamine, 4-chloro-2-iodo,zlchem 532,pubchem3645,4-chloro-6-iodoaniline,acmc-1bcyk,2-iodo-4-chloro-aniline PubChem CID: 2757615 IUPAC Name: 4-chloro-2-iodoaniline SMILES: C1=CC(=C(C=C1Cl)I)N
| PubChem CID | 2757615 |
|---|---|
| CAS | 63069-48-7 |
| Molecular Weight (g/mol) | 253.467 |
| MDL Number | MFCD01863737 |
| SMILES | C1=CC(=C(C=C1Cl)I)N |
| Synonym | 2-iodo-4-chloroaniline,4-chloro-2-iodo-aniline,4-chloro-2-iodo-phenylamine,4-chloro-2-iodophenylamine,benzenamine, 4-chloro-2-iodo,zlchem 532,pubchem3645,4-chloro-6-iodoaniline,acmc-1bcyk,2-iodo-4-chloro-aniline |
| IUPAC Name | 4-chloro-2-iodoaniline |
| InChI Key | FLEJOBRWKBPUOX-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClIN |
4-Methyl-1-naphthoic Acid 98.0+%, TCI America™
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CAS: 4488-40-8 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00671557 InChI Key: SIVYRLBDAPKADZ-UHFFFAOYSA-N Synonym: 4-methyl-1-naphthoic acid,4-methyl-1-naphthalenecarboxylic acid,4-methyl-1-napthoic acid,1-naphthalenecarboxylic acid, 4-methyl,4-methyl-naphthalene-1-carboxylic acid,4-methylnaphthalenecarboxylic acid,4-methylnaphthoic acid,acmc-1aehw,4-methyl-1-naphthoicacid,4-methyl-1-naphtholic acid PubChem CID: 3014285 IUPAC Name: 4-methylnaphthalene-1-carboxylic acid SMILES: CC1=C2C=CC=CC2=C(C=C1)C(O)=O
| PubChem CID | 3014285 |
|---|---|
| CAS | 4488-40-8 |
| Molecular Weight (g/mol) | 186.21 |
| MDL Number | MFCD00671557 |
| SMILES | CC1=C2C=CC=CC2=C(C=C1)C(O)=O |
| Synonym | 4-methyl-1-naphthoic acid,4-methyl-1-naphthalenecarboxylic acid,4-methyl-1-napthoic acid,1-naphthalenecarboxylic acid, 4-methyl,4-methyl-naphthalene-1-carboxylic acid,4-methylnaphthalenecarboxylic acid,4-methylnaphthoic acid,acmc-1aehw,4-methyl-1-naphthoicacid,4-methyl-1-naphtholic acid |
| IUPAC Name | 4-methylnaphthalene-1-carboxylic acid |
| InChI Key | SIVYRLBDAPKADZ-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2 |
Triphenylpropylphosphonium Bromide 98.0+%, TCI America™
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CAS: 6228-47-3 Molecular Formula: C21H22BrP Molecular Weight (g/mol): 385.29 MDL Number: MFCD00011843 InChI Key: XMQSELBBYSAURN-UHFFFAOYSA-M Synonym: propyltriphenylphosphonium bromide,triphenyl propyl phosphonium bromide,1-propyl triphenylphosphonium bromide,n-propyltriphenylphosphonium bromide,triphenyl propyl phosphanium bromide,n-propyl triphenylphosphonium bromide,propyl triphenyl phosphonium chloride,acmc-1bff2,propyltriphenylphosphoniumbromide PubChem CID: 80374 IUPAC Name: triphenyl(propyl)phosphanium bromide SMILES: [Br-].CCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 80374 |
|---|---|
| CAS | 6228-47-3 |
| Molecular Weight (g/mol) | 385.29 |
| MDL Number | MFCD00011843 |
| SMILES | [Br-].CCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | propyltriphenylphosphonium bromide,triphenyl propyl phosphonium bromide,1-propyl triphenylphosphonium bromide,n-propyltriphenylphosphonium bromide,triphenyl propyl phosphanium bromide,n-propyl triphenylphosphonium bromide,propyl triphenyl phosphonium chloride,acmc-1bff2,propyltriphenylphosphoniumbromide |
| IUPAC Name | triphenyl(propyl)phosphanium bromide |
| InChI Key | XMQSELBBYSAURN-UHFFFAOYSA-M |
| Molecular Formula | C21H22BrP |
Trospium Chloride 98.0+%, TCI America™
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CAS: 10405-02-4 Molecular Formula: C25H30ClNO3 Molecular Weight (g/mol): 427.969 MDL Number: MFCD00865254 InChI Key: RVCSYOQWLPPAOA-VROPFNGYSA-M PubChem CID: 73415998 IUPAC Name: [(1S,5S)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl] 2-hydroxy-2,2-diphenylacetate;chloride SMILES: C1CC[N+]2(C1)C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Cl-]
| PubChem CID | 73415998 |
|---|---|
| CAS | 10405-02-4 |
| Molecular Weight (g/mol) | 427.969 |
| MDL Number | MFCD00865254 |
| SMILES | C1CC[N+]2(C1)C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Cl-] |
| IUPAC Name | [(1S,5S)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl] 2-hydroxy-2,2-diphenylacetate;chloride |
| InChI Key | RVCSYOQWLPPAOA-VROPFNGYSA-M |
| Molecular Formula | C25H30ClNO3 |
3-(Methylthio)benzoic Acid 98.0+%, TCI America™
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CAS: 825-99-0 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00156993 InChI Key: PZGADOOBMVLBJE-UHFFFAOYSA-N Synonym: 3-methylthio benzoic acid,3-methylsulfanyl benzoic acid,benzoic acid, 3-methylthio,benzoic acid, m-methylthio,3-mercaptobenzoic acid s-methyl ether,3-methylsulfanyl-benzoic acid,3-carboxythioanisole,pubchem10679 PubChem CID: 220329 IUPAC Name: 3-methylsulfanylbenzoic acid SMILES: CSC1=CC=CC(=C1)C(=O)O
| PubChem CID | 220329 |
|---|---|
| CAS | 825-99-0 |
| Molecular Weight (g/mol) | 168.21 |
| MDL Number | MFCD00156993 |
| SMILES | CSC1=CC=CC(=C1)C(=O)O |
| Synonym | 3-methylthio benzoic acid,3-methylsulfanyl benzoic acid,benzoic acid, 3-methylthio,benzoic acid, m-methylthio,3-mercaptobenzoic acid s-methyl ether,3-methylsulfanyl-benzoic acid,3-carboxythioanisole,pubchem10679 |
| IUPAC Name | 3-methylsulfanylbenzoic acid |
| InChI Key | PZGADOOBMVLBJE-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2S |
5-Chloro-2-fluorobenzylamine 97.0+%, TCI America™
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CAS: 261723-26-6 Molecular Formula: C7H7ClFN Molecular Weight (g/mol): 159.59 MDL Number: MFCD01631440 InChI Key: BFLBLJKULFDOTN-UHFFFAOYSA-N Synonym: 5-chloro-2-fluorobenzylamine,5-chloro-2-fluorophenyl methanamine,2-fluoro-5-chlorobenzylamine,2-fluoro-5-chlorobenzyl amine,1-5-chloro-2-fluorophenyl methanamine,5-chloro-2-fluoro-benzylamine,5-chloro-2-fluorophenyl methylamine,5-chloro-2-fluorobenzyl amine,pubchem4378 PubChem CID: 2773616 IUPAC Name: 1-(5-chloro-2-fluorophenyl)methanamine SMILES: NCC1=CC(Cl)=CC=C1F
| PubChem CID | 2773616 |
|---|---|
| CAS | 261723-26-6 |
| Molecular Weight (g/mol) | 159.59 |
| MDL Number | MFCD01631440 |
| SMILES | NCC1=CC(Cl)=CC=C1F |
| Synonym | 5-chloro-2-fluorobenzylamine,5-chloro-2-fluorophenyl methanamine,2-fluoro-5-chlorobenzylamine,2-fluoro-5-chlorobenzyl amine,1-5-chloro-2-fluorophenyl methanamine,5-chloro-2-fluoro-benzylamine,5-chloro-2-fluorophenyl methylamine,5-chloro-2-fluorobenzyl amine,pubchem4378 |
| IUPAC Name | 1-(5-chloro-2-fluorophenyl)methanamine |
| InChI Key | BFLBLJKULFDOTN-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClFN |
(S)-(-)-N-(alpha-Methylbenzyl)phthalamic Acid 98.0+%, TCI America™
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CAS: 21752-36-3 Molecular Formula: C16H15NO3 Molecular Weight (g/mol): 269.3 MDL Number: MFCD00013979 InChI Key: VCFKXWGKKDZMPO-NSHDSACASA-N Synonym: s-2-1-phenylethyl carbamoyl benzoic acid,s---n-alpha-methylbenzyl phthalamic acid,s---n-1-phenylethyl phthalamic acid,2-1s-1-phenylethyl carbamoyl benzoic acid,s-o-1-phenylethyl amino carbonyl benzoic acid,benzoic acid,2-1s-1-phenylethyl amino carbonyl,s---n-alpha-methylbenzyl phthalamicacid,s---n-,a-methylbenzyl phthalamic acid,s---n-a-methylbenzyl phthalamidic acid PubChem CID: 89037 IUPAC Name: 2-[[(1S)-1-phenylethyl]carbamoyl]benzoic acid SMILES: CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2C(=O)O
| PubChem CID | 89037 |
|---|---|
| CAS | 21752-36-3 |
| Molecular Weight (g/mol) | 269.3 |
| MDL Number | MFCD00013979 |
| SMILES | CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2C(=O)O |
| Synonym | s-2-1-phenylethyl carbamoyl benzoic acid,s---n-alpha-methylbenzyl phthalamic acid,s---n-1-phenylethyl phthalamic acid,2-1s-1-phenylethyl carbamoyl benzoic acid,s-o-1-phenylethyl amino carbonyl benzoic acid,benzoic acid,2-1s-1-phenylethyl amino carbonyl,s---n-alpha-methylbenzyl phthalamicacid,s---n-,a-methylbenzyl phthalamic acid,s---n-a-methylbenzyl phthalamidic acid |
| IUPAC Name | 2-[[(1S)-1-phenylethyl]carbamoyl]benzoic acid |
| InChI Key | VCFKXWGKKDZMPO-NSHDSACASA-N |
| Molecular Formula | C16H15NO3 |
4-Bromo-2,6-difluorobenzoic Acid 98.0+%, TCI America™
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CAS: 183065-68-1 Molecular Formula: C7H3BrF2O2 Molecular Weight (g/mol): 237.00 MDL Number: MFCD03094085 InChI Key: IRHPJGPQWZEZRX-UHFFFAOYSA-N Synonym: 2,6-difluoro-4-bromobenzoic acid,benzoic acid, 4-bromo-2,6-difluoro,4-bromo-2,6-difluoro-benzoic acid,4-bromo-2,6-difluoro-benzoicacid,pubchem2476,acmc-1bx1y,ksc174k2f,rarechem al be 1306,benzoicacid, 4-bromo-2,6-difluoro,4-bromo-2,6-difluorobenzoic acid PubChem CID: 2773298 IUPAC Name: 4-bromo-2,6-difluorobenzoic acid SMILES: OC(=O)C1=C(F)C=C(Br)C=C1F
| PubChem CID | 2773298 |
|---|---|
| CAS | 183065-68-1 |
| Molecular Weight (g/mol) | 237.00 |
| MDL Number | MFCD03094085 |
| SMILES | OC(=O)C1=C(F)C=C(Br)C=C1F |
| Synonym | 2,6-difluoro-4-bromobenzoic acid,benzoic acid, 4-bromo-2,6-difluoro,4-bromo-2,6-difluoro-benzoic acid,4-bromo-2,6-difluoro-benzoicacid,pubchem2476,acmc-1bx1y,ksc174k2f,rarechem al be 1306,benzoicacid, 4-bromo-2,6-difluoro,4-bromo-2,6-difluorobenzoic acid |
| IUPAC Name | 4-bromo-2,6-difluorobenzoic acid |
| InChI Key | IRHPJGPQWZEZRX-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrF2O2 |
2-Fluoro-5-iodobenzoic Acid 98.0+%, TCI America™
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CAS: 124700-41-0 Molecular Formula: C7H4FIO2 Molecular Weight (g/mol): 266.01 MDL Number: MFCD03094517 InChI Key: QNNJHBNTHVHALE-UHFFFAOYSA-N Synonym: benzoic acid, 2-fluoro-5-iodo,2-fluoro-5-iodobenzoicacid,2-fluoro-5-iodo-benzoic acid,pubchem1385,acmc-1c24w,ksc174o6d,rarechem al bo 1479,buttpark 122\01-06,5-iodo-2-fluorobenzoic acid,2-fluoro-5-iodobenzoic acid PubChem CID: 2778925 IUPAC Name: 2-fluoro-5-iodobenzoic acid SMILES: C1=CC(=C(C=C1I)C(=O)O)F
| PubChem CID | 2778925 |
|---|---|
| CAS | 124700-41-0 |
| Molecular Weight (g/mol) | 266.01 |
| MDL Number | MFCD03094517 |
| SMILES | C1=CC(=C(C=C1I)C(=O)O)F |
| Synonym | benzoic acid, 2-fluoro-5-iodo,2-fluoro-5-iodobenzoicacid,2-fluoro-5-iodo-benzoic acid,pubchem1385,acmc-1c24w,ksc174o6d,rarechem al bo 1479,buttpark 122\01-06,5-iodo-2-fluorobenzoic acid,2-fluoro-5-iodobenzoic acid |
| IUPAC Name | 2-fluoro-5-iodobenzoic acid |
| InChI Key | QNNJHBNTHVHALE-UHFFFAOYSA-N |
| Molecular Formula | C7H4FIO2 |
3-(2-Naphthyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 45382255 |
|---|---|
| CAS | 870774-29-1 |
| MDL Number | MFCD16293738 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| TSCA | No |
| InChI Key | WLKQDOGZCIYEOM-UHFFFAOYSA-N |
| Molecular Formula | C16H13BO2 |
| Formula Weight | 248.09 |
4-Methoxytoluene 98.0+%, TCI America™
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CAS: 104-93-8 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00008413 InChI Key: CHLICZRVGGXEOD-UHFFFAOYSA-N Synonym: 4-methylanisole,p-methylanisole,4-methoxytoluene,p-methoxytoluene,benzene, 1-methoxy-4-methyl,p-cresyl methyl ether,p-cresol methyl ether,anisole, p-methyl,methyl p-tolyl ether,p-tolyl methyl ether PubChem CID: 7731 IUPAC Name: 1-methoxy-4-methylbenzene SMILES: CC1=CC=C(C=C1)OC
| PubChem CID | 7731 |
|---|---|
| CAS | 104-93-8 |
| Molecular Weight (g/mol) | 122.167 |
| MDL Number | MFCD00008413 |
| SMILES | CC1=CC=C(C=C1)OC |
| Synonym | 4-methylanisole,p-methylanisole,4-methoxytoluene,p-methoxytoluene,benzene, 1-methoxy-4-methyl,p-cresyl methyl ether,p-cresol methyl ether,anisole, p-methyl,methyl p-tolyl ether,p-tolyl methyl ether |
| IUPAC Name | 1-methoxy-4-methylbenzene |
| InChI Key | CHLICZRVGGXEOD-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
Bis[2-(diphenylphosphino)phenyl] Ether 98.0+%, TCI America™
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CAS: 166330-10-5 Molecular Formula: C36H28OP2 Molecular Weight (g/mol): 538.57 MDL Number: MFCD00233863 InChI Key: RYXZOQOZERSHHQ-UHFFFAOYSA-N Synonym: bis 2-diphenylphosphinophenyl ether,dpephos,oxydi-2,1-phenylene bis diphenylphosphine,oxybis 2,1-phenylene bis diphenylphosphine,bis 2-diphenylphosphino phenyl ether,2,2'-bis diphenylphosphino diphenyl ether,2-2-diphenylphosphanyl phenoxy phenyl diphenylphosphane PubChem CID: 4285986 IUPAC Name: {2-[2-(diphenylphosphanyl)phenoxy]phenyl}diphenylphosphane SMILES: O(C1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 4285986 |
|---|---|
| CAS | 166330-10-5 |
| Molecular Weight (g/mol) | 538.57 |
| MDL Number | MFCD00233863 |
| SMILES | O(C1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | bis 2-diphenylphosphinophenyl ether,dpephos,oxydi-2,1-phenylene bis diphenylphosphine,oxybis 2,1-phenylene bis diphenylphosphine,bis 2-diphenylphosphino phenyl ether,2,2'-bis diphenylphosphino diphenyl ether,2-2-diphenylphosphanyl phenoxy phenyl diphenylphosphane |
| IUPAC Name | {2-[2-(diphenylphosphanyl)phenoxy]phenyl}diphenylphosphane |
| InChI Key | RYXZOQOZERSHHQ-UHFFFAOYSA-N |
| Molecular Formula | C36H28OP2 |
2,4-Di-tert-amylphenol 98.0+%, TCI America™
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CAS: 120-95-6 Molecular Formula: C16H26O Molecular Weight (g/mol): 234.38 MDL Number: MFCD00041929 InChI Key: WMVJWKURWRGJCI-UHFFFAOYSA-N Synonym: 2,4-di-tert-pentylphenol,2,4-di-tert-amylphenol,2,4-di-t-pentylphenol,2,4-bis 1,1-dimethylpropyl phenol,phenol, 2,4-bis 1,1-dimethylpropyl,di-tert-amylphenol,prodox 156,phenol, 2,4-di-tert-pentyl,2,4-bis 2-methylbutan-2-yl phenol,unii-852f1hp88h PubChem CID: 8455 IUPAC Name: 2,4-bis(2-methylbutan-2-yl)phenol SMILES: CCC(C)(C)C1=CC=C(O)C(=C1)C(C)(C)CC
| PubChem CID | 8455 |
|---|---|
| CAS | 120-95-6 |
| Molecular Weight (g/mol) | 234.38 |
| MDL Number | MFCD00041929 |
| SMILES | CCC(C)(C)C1=CC=C(O)C(=C1)C(C)(C)CC |
| Synonym | 2,4-di-tert-pentylphenol,2,4-di-tert-amylphenol,2,4-di-t-pentylphenol,2,4-bis 1,1-dimethylpropyl phenol,phenol, 2,4-bis 1,1-dimethylpropyl,di-tert-amylphenol,prodox 156,phenol, 2,4-di-tert-pentyl,2,4-bis 2-methylbutan-2-yl phenol,unii-852f1hp88h |
| IUPAC Name | 2,4-bis(2-methylbutan-2-yl)phenol |
| InChI Key | WMVJWKURWRGJCI-UHFFFAOYSA-N |
| Molecular Formula | C16H26O |
1,4-Bis(4-amino-2-trifluoromethylphenoxy)benzene 98.0+%, TCI America™
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CAS: 94525-05-0 Molecular Formula: C20H14F6N2O2 Molecular Weight (g/mol): 428.33 MDL Number: MFCD07368071 InChI Key: LACZRKUWKHQVKS-UHFFFAOYSA-N PubChem CID: 19805071 IUPAC Name: 4-{4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy}-3-(trifluoromethyl)aniline SMILES: NC1=CC(=C(OC2=CC=C(OC3=C(C=C(N)C=C3)C(F)(F)F)C=C2)C=C1)C(F)(F)F
| PubChem CID | 19805071 |
|---|---|
| CAS | 94525-05-0 |
| Molecular Weight (g/mol) | 428.33 |
| MDL Number | MFCD07368071 |
| SMILES | NC1=CC(=C(OC2=CC=C(OC3=C(C=C(N)C=C3)C(F)(F)F)C=C2)C=C1)C(F)(F)F |
| IUPAC Name | 4-{4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy}-3-(trifluoromethyl)aniline |
| InChI Key | LACZRKUWKHQVKS-UHFFFAOYSA-N |
| Molecular Formula | C20H14F6N2O2 |