Benzenoids
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(S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol 98.0+%, TCI America™
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CAS: 78603-95-9 Molecular Formula: C17H21NO Molecular Weight (g/mol): 255.36 MDL Number: MFCD01318248 InChI Key: LNQVZZGGOZBOQS-UHFFFAOYNA-N PubChem CID: 854145 IUPAC Name: 2-amino-3-methyl-1,1-diphenylbutan-1-ol SMILES: CC(C)C(N)C(O)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 854145 |
|---|---|
| CAS | 78603-95-9 |
| Molecular Weight (g/mol) | 255.36 |
| MDL Number | MFCD01318248 |
| SMILES | CC(C)C(N)C(O)(C1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | 2-amino-3-methyl-1,1-diphenylbutan-1-ol |
| InChI Key | LNQVZZGGOZBOQS-UHFFFAOYNA-N |
| Molecular Formula | C17H21NO |
2,3-Dichlorobenzyl Alcohol 98.0+%, TCI America™
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CAS: 38594-42-2 Molecular Formula: C7H6Cl2O Molecular Weight (g/mol): 177.024 MDL Number: MFCD00238581 InChI Key: STVBVTWXWZMRPZ-UHFFFAOYSA-N PubChem CID: 228603 IUPAC Name: (2,3-dichlorophenyl)methanol SMILES: C1=CC(=C(C(=C1)Cl)Cl)CO
| PubChem CID | 228603 |
|---|---|
| CAS | 38594-42-2 |
| Molecular Weight (g/mol) | 177.024 |
| MDL Number | MFCD00238581 |
| SMILES | C1=CC(=C(C(=C1)Cl)Cl)CO |
| IUPAC Name | (2,3-dichlorophenyl)methanol |
| InChI Key | STVBVTWXWZMRPZ-UHFFFAOYSA-N |
| Molecular Formula | C7H6Cl2O |
3-Bromo-4-fluorobenzoic Acid 96.0+%, TCI America™
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CAS: 1007-16-5 Molecular Formula: C7H3BrFO2 Molecular Weight (g/mol): 218.00 MDL Number: MFCD00042463 InChI Key: ONELILMJNOWXSA-UHFFFAOYSA-M Synonym: 3-bromo-4-fluoro-benzoic acid,4-fluoro-3-bromo benzoic acid,3-bromo-4-fluorobenzoicacid,rarechem al bo 0604,buttpark 20\01-58,benzoic acid, 3-bromo-4-fluoro,3-bromo-4-fluorbenzoic acid,pubchem1320,3-bromo-4-fiuorobenzoic acid,5-bromo-4-fluorobenzoic acid PubChem CID: 70509 IUPAC Name: 3-bromo-4-fluorobenzoate SMILES: [O-]C(=O)C1=CC=C(F)C(Br)=C1
| PubChem CID | 70509 |
|---|---|
| CAS | 1007-16-5 |
| Molecular Weight (g/mol) | 218.00 |
| MDL Number | MFCD00042463 |
| SMILES | [O-]C(=O)C1=CC=C(F)C(Br)=C1 |
| Synonym | 3-bromo-4-fluoro-benzoic acid,4-fluoro-3-bromo benzoic acid,3-bromo-4-fluorobenzoicacid,rarechem al bo 0604,buttpark 20\01-58,benzoic acid, 3-bromo-4-fluoro,3-bromo-4-fluorbenzoic acid,pubchem1320,3-bromo-4-fiuorobenzoic acid,5-bromo-4-fluorobenzoic acid |
| IUPAC Name | 3-bromo-4-fluorobenzoate |
| InChI Key | ONELILMJNOWXSA-UHFFFAOYSA-M |
| Molecular Formula | C7H3BrFO2 |
2-Bromo-6-fluorobenzotrifluoride 97.0+%, TCI America™
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CAS: 261951-85-3 Molecular Formula: C7H3BrF4 Molecular Weight (g/mol): 242.999 MDL Number: MFCD01631569 InChI Key: LOXSSZUHCPBDMD-UHFFFAOYSA-N Synonym: 2-bromo-6-fluorobenzotrifluoride,1-bromo-3-fluoro-2-trifluoromethyl benzene,3-fluoro-2-trifluoromethyl bromobenzene,benzene, 1-bromo-3-fluoro-2-trifluoromethyl,2-bromo-alpha,alpha,alpha,6-tetrafluorotoluene,1-bromo-3-fluoro-2-trifluoromethyl-benzene,pubchem1638,2-bromo-6-fluorobenzo trifluoride PubChem CID: 2773345 IUPAC Name: 1-bromo-3-fluoro-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C(=C1)Br)C(F)(F)F)F
| PubChem CID | 2773345 |
|---|---|
| CAS | 261951-85-3 |
| Molecular Weight (g/mol) | 242.999 |
| MDL Number | MFCD01631569 |
| SMILES | C1=CC(=C(C(=C1)Br)C(F)(F)F)F |
| Synonym | 2-bromo-6-fluorobenzotrifluoride,1-bromo-3-fluoro-2-trifluoromethyl benzene,3-fluoro-2-trifluoromethyl bromobenzene,benzene, 1-bromo-3-fluoro-2-trifluoromethyl,2-bromo-alpha,alpha,alpha,6-tetrafluorotoluene,1-bromo-3-fluoro-2-trifluoromethyl-benzene,pubchem1638,2-bromo-6-fluorobenzo trifluoride |
| IUPAC Name | 1-bromo-3-fluoro-2-(trifluoromethyl)benzene |
| InChI Key | LOXSSZUHCPBDMD-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrF4 |
N-Fluorobenzenesulfonimide 97.0+%, TCI America™
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CAS: 133745-75-2 Molecular Formula: C12H10FNO4S2 Molecular Weight (g/mol): 315.333 MDL Number: MFCD00144885 InChI Key: RLKHFSNWQCZBDC-UHFFFAOYSA-N Synonym: n-fluorobenzenesulfonimide,nfsi,n-fluoro-n-phenylsulfonyl benzenesulfonamide,n-fluorodibenzenesulfonimide,n-fluorobenzensulfonimide,n-fluorobenzenesulphonimide,accufluor nfsi,n-fluorodi benzenesulfonyl amine,bis phenylsulfonyl fluoroamine,n-fluorobis phenylsulfonyl amine PubChem CID: 588007 IUPAC Name: N-(benzenesulfonyl)-N-fluorobenzenesulfonamide SMILES: C1=CC=C(C=C1)S(=O)(=O)N(F)S(=O)(=O)C2=CC=CC=C2
| PubChem CID | 588007 |
|---|---|
| CAS | 133745-75-2 |
| Molecular Weight (g/mol) | 315.333 |
| MDL Number | MFCD00144885 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N(F)S(=O)(=O)C2=CC=CC=C2 |
| Synonym | n-fluorobenzenesulfonimide,nfsi,n-fluoro-n-phenylsulfonyl benzenesulfonamide,n-fluorodibenzenesulfonimide,n-fluorobenzensulfonimide,n-fluorobenzenesulphonimide,accufluor nfsi,n-fluorodi benzenesulfonyl amine,bis phenylsulfonyl fluoroamine,n-fluorobis phenylsulfonyl amine |
| IUPAC Name | N-(benzenesulfonyl)-N-fluorobenzenesulfonamide |
| InChI Key | RLKHFSNWQCZBDC-UHFFFAOYSA-N |
| Molecular Formula | C12H10FNO4S2 |
3,5-Bis(trifluoromethyl)benzyl Alcohol 98.0+%, TCI America™
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CAS: 32707-89-4 Molecular Formula: C9H6F6O Molecular Weight (g/mol): 244.136 MDL Number: MFCD00009907 InChI Key: BJTWPJOGDWRYDD-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzyl alcohol,3,5-bis trifluoromethyl phenyl methanol,3,5-bis-trifluoromethyl-phenyl-methanol,3,5-ditrifluoromethylbenzyl alcohol,benzenemethanol, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl benzylalcohol,3,5-di trifluoromethyl benzyl alcohol,3,5-di trifluoromethyl phenyl methanol,3,5-bis-trifluoromethyl benzyl alcohol PubChem CID: 122933 IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methanol SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CO
| PubChem CID | 122933 |
|---|---|
| CAS | 32707-89-4 |
| Molecular Weight (g/mol) | 244.136 |
| MDL Number | MFCD00009907 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CO |
| Synonym | 3,5-bis trifluoromethyl benzyl alcohol,3,5-bis trifluoromethyl phenyl methanol,3,5-bis-trifluoromethyl-phenyl-methanol,3,5-ditrifluoromethylbenzyl alcohol,benzenemethanol, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl benzylalcohol,3,5-di trifluoromethyl benzyl alcohol,3,5-di trifluoromethyl phenyl methanol,3,5-bis-trifluoromethyl benzyl alcohol |
| IUPAC Name | [3,5-bis(trifluoromethyl)phenyl]methanol |
| InChI Key | BJTWPJOGDWRYDD-UHFFFAOYSA-N |
| Molecular Formula | C9H6F6O |
3,4-Dimethoxyaniline 98.0+%, TCI America™
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CAS: 6315-89-5 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.181 MDL Number: MFCD00008394 InChI Key: LGDHZCLREKIGKJ-UHFFFAOYSA-N Synonym: 4-aminoveratrole,benzenamine, 3,4-dimethoxy,4-aminoveratrol,3,4-dimethoxybenzenamine,2-methoxy-4-aminoanisole,3,4-dimethoxy aniline,aniline, 3,4-dimethoxy,3,4-dimethyloxy aniline,3,4-dimethoxy-phenylamine PubChem CID: 22770 IUPAC Name: 3,4-dimethoxyaniline SMILES: COC1=C(C=C(C=C1)N)OC
| PubChem CID | 22770 |
|---|---|
| CAS | 6315-89-5 |
| Molecular Weight (g/mol) | 153.181 |
| MDL Number | MFCD00008394 |
| SMILES | COC1=C(C=C(C=C1)N)OC |
| Synonym | 4-aminoveratrole,benzenamine, 3,4-dimethoxy,4-aminoveratrol,3,4-dimethoxybenzenamine,2-methoxy-4-aminoanisole,3,4-dimethoxy aniline,aniline, 3,4-dimethoxy,3,4-dimethyloxy aniline,3,4-dimethoxy-phenylamine |
| IUPAC Name | 3,4-dimethoxyaniline |
| InChI Key | LGDHZCLREKIGKJ-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO2 |
1-Hydroxy-4-nitroanthraquinone 97.0+%, TCI America™
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CAS: 81-65-2 Molecular Formula: C14H7NO5 Molecular Weight (g/mol): 269.212 MDL Number: MFCD00142642 InChI Key: XXUOKOYLVBHBCG-UHFFFAOYSA-N PubChem CID: 3490678 IUPAC Name: 1-hydroxy-4-nitroanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)[N+](=O)[O-]
| PubChem CID | 3490678 |
|---|---|
| CAS | 81-65-2 |
| Molecular Weight (g/mol) | 269.212 |
| MDL Number | MFCD00142642 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)[N+](=O)[O-] |
| IUPAC Name | 1-hydroxy-4-nitroanthracene-9,10-dione |
| InChI Key | XXUOKOYLVBHBCG-UHFFFAOYSA-N |
| Molecular Formula | C14H7NO5 |
[2-(Aminomethyl)phenyl]acetic Acid 97.0+%, TCI America™
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CAS: 40851-65-8 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD04038440 InChI Key: VLOIVYPDUSVCLZ-UHFFFAOYSA-N PubChem CID: 1514158 IUPAC Name: 2-[2-(aminomethyl)phenyl]acetic acid SMILES: NCC1=CC=CC=C1CC(O)=O
| PubChem CID | 1514158 |
|---|---|
| CAS | 40851-65-8 |
| Molecular Weight (g/mol) | 165.19 |
| MDL Number | MFCD04038440 |
| SMILES | NCC1=CC=CC=C1CC(O)=O |
| IUPAC Name | 2-[2-(aminomethyl)phenyl]acetic acid |
| InChI Key | VLOIVYPDUSVCLZ-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
2,3,5,6-Tetrafluorobenzenethiol 95.0+%, TCI America™
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CAS: 769-40-4 Molecular Formula: C6H2F4S Molecular Weight (g/mol): 182.136 MDL Number: MFCD00004829 InChI Key: IGOGJHYWSOZGAE-UHFFFAOYSA-N Synonym: 2,3,5,6-tetrafluorothiophenol,2,3,5,6-tetrafluorobenzene-1-thiol,benzenethiol, 2,3,5,6-tetrafluoro,2,3,5,6-tetrafluorbenzolthiol,timtec-bb sbb000230,#,2,3,5,6-tetrafluorophenyl hydrosulfide,2,3,5,6-tetrafluorobenzenethiol PubChem CID: 69859 IUPAC Name: 2,3,5,6-tetrafluorobenzenethiol SMILES: C1=C(C(=C(C(=C1F)F)S)F)F
| PubChem CID | 69859 |
|---|---|
| CAS | 769-40-4 |
| Molecular Weight (g/mol) | 182.136 |
| MDL Number | MFCD00004829 |
| SMILES | C1=C(C(=C(C(=C1F)F)S)F)F |
| Synonym | 2,3,5,6-tetrafluorothiophenol,2,3,5,6-tetrafluorobenzene-1-thiol,benzenethiol, 2,3,5,6-tetrafluoro,2,3,5,6-tetrafluorbenzolthiol,timtec-bb sbb000230,#,2,3,5,6-tetrafluorophenyl hydrosulfide,2,3,5,6-tetrafluorobenzenethiol |
| IUPAC Name | 2,3,5,6-tetrafluorobenzenethiol |
| InChI Key | IGOGJHYWSOZGAE-UHFFFAOYSA-N |
| Molecular Formula | C6H2F4S |
2,4-Dichlorophenoxyacetic Acid 97.0+%, TCI America™
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CAS: 94-75-7 Molecular Formula: C8H6Cl2O3 Molecular Weight (g/mol): 221.033 MDL Number: MFCD00004300 InChI Key: OVSKIKFHRZPJSS-UHFFFAOYSA-N Synonym: 2,4-dichlorophenoxyacetic acid,2-2,4-dichlorophenoxy acetic acid,2,4-dichlorophenoxy acetic acid,hedonal,rhodia,agrotect,fernesta,fernimine,netagrone,tributon PubChem CID: 1486 ChEBI: CHEBI:28854 IUPAC Name: 2-(2,4-dichlorophenoxy)acetic acid SMILES: C1=CC(=C(C=C1Cl)Cl)OCC(=O)O
| PubChem CID | 1486 |
|---|---|
| CAS | 94-75-7 |
| Molecular Weight (g/mol) | 221.033 |
| ChEBI | CHEBI:28854 |
| MDL Number | MFCD00004300 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)OCC(=O)O |
| Synonym | 2,4-dichlorophenoxyacetic acid,2-2,4-dichlorophenoxy acetic acid,2,4-dichlorophenoxy acetic acid,hedonal,rhodia,agrotect,fernesta,fernimine,netagrone,tributon |
| IUPAC Name | 2-(2,4-dichlorophenoxy)acetic acid |
| InChI Key | OVSKIKFHRZPJSS-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O3 |
1-Bromo-4-(trifluoromethoxy)benzene 98.0+%, TCI America™
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CAS: 407-14-7 Molecular Formula: C7H4BrF3O Molecular Weight (g/mol): 241.01 MDL Number: MFCD00040834 InChI Key: SEAOBYFQWJFORM-UHFFFAOYSA-N Synonym: 1-bromo-4-trifluoromethoxy benzene,4-trifluoromethoxy bromobenzene,4-bromo trifluoromethoxy benzene,4-trifluoromethoxybromobenzene,p-bromotrifluoromethoxybenzene,benzene, 1-bromo-4-trifluoromethoxy,4-bromo-1-trifluoromethoxy benzene,p-trifluoromethoxybromobenzene,4-bromotrifluoromethoxybenzene,4-bromo-trifluoromethoxybenzene PubChem CID: 521008 IUPAC Name: 1-bromo-4-(trifluoromethoxy)benzene SMILES: FC(F)(F)OC1=CC=C(Br)C=C1
| PubChem CID | 521008 |
|---|---|
| CAS | 407-14-7 |
| Molecular Weight (g/mol) | 241.01 |
| MDL Number | MFCD00040834 |
| SMILES | FC(F)(F)OC1=CC=C(Br)C=C1 |
| Synonym | 1-bromo-4-trifluoromethoxy benzene,4-trifluoromethoxy bromobenzene,4-bromo trifluoromethoxy benzene,4-trifluoromethoxybromobenzene,p-bromotrifluoromethoxybenzene,benzene, 1-bromo-4-trifluoromethoxy,4-bromo-1-trifluoromethoxy benzene,p-trifluoromethoxybromobenzene,4-bromotrifluoromethoxybenzene,4-bromo-trifluoromethoxybenzene |
| IUPAC Name | 1-bromo-4-(trifluoromethoxy)benzene |
| InChI Key | SEAOBYFQWJFORM-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrF3O |
Methyl 5-Methylsalicylate 96.0+%, TCI America™
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CAS: 22717-57-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00016485 InChI Key: JQYUQKRFSSSGJM-UHFFFAOYSA-N Synonym: methyl 5-methylsalicylate,benzoic acid, 2-hydroxy-5-methyl-, methyl ester,2-hydroxy-5-methylbenzoic acid methyl ester,methyl-5-methylsalicylate,2,5-cresotic acid, methyl ester,methyl 5-methyl salicylate,p-cresotic acid methyl ester,5-methylsalicylic acid methyl ester,methyl 2-hydroxy-5-methyl-benzoate,6-hydroxy-m-toluic acid methyl ester PubChem CID: 89802 IUPAC Name: methyl 2-hydroxy-5-methylbenzoate SMILES: CC1=CC(=C(C=C1)O)C(=O)OC
| PubChem CID | 89802 |
|---|---|
| CAS | 22717-57-3 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00016485 |
| SMILES | CC1=CC(=C(C=C1)O)C(=O)OC |
| Synonym | methyl 5-methylsalicylate,benzoic acid, 2-hydroxy-5-methyl-, methyl ester,2-hydroxy-5-methylbenzoic acid methyl ester,methyl-5-methylsalicylate,2,5-cresotic acid, methyl ester,methyl 5-methyl salicylate,p-cresotic acid methyl ester,5-methylsalicylic acid methyl ester,methyl 2-hydroxy-5-methyl-benzoate,6-hydroxy-m-toluic acid methyl ester |
| IUPAC Name | methyl 2-hydroxy-5-methylbenzoate |
| InChI Key | JQYUQKRFSSSGJM-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2-(4-Bromophenyl)-1,3-dioxolane 98.0+%, TCI America™
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CAS: 10602-01-4 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD01318950 InChI Key: ZYIMHOWVWWHLDN-UHFFFAOYSA-N PubChem CID: 2773842 IUPAC Name: 2-(4-bromophenyl)-1,3-dioxolane SMILES: C1COC(O1)C2=CC=C(C=C2)Br
| PubChem CID | 2773842 |
|---|---|
| CAS | 10602-01-4 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD01318950 |
| SMILES | C1COC(O1)C2=CC=C(C=C2)Br |
| IUPAC Name | 2-(4-bromophenyl)-1,3-dioxolane |
| InChI Key | ZYIMHOWVWWHLDN-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
1-(4-Chlorobenzhydryl)piperazine 98.0+%, TCI America™
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CAS: 303-26-4 Molecular Formula: C17H19ClN2 Molecular Weight (g/mol): 286.803 MDL Number: MFCD00005965 InChI Key: UZKBSZSTDQSMDR-UHFFFAOYSA-N Synonym: 1-4-chlorobenzhydryl piperazine,norchlorcyclizine,1-4-chlorophenyl phenyl methyl piperazine,n-p-chlorobenzhydryl piperazine,4-4-chlorobenzhydryl piperazine,1-4-chlorophenyl phenylmethyl piperazine,n-4-chlorobenzhydryl piperazine,1-4-chlorophenyl-phenylmethyl piperazine PubChem CID: 9340 IUPAC Name: 1-[(4-chlorophenyl)-phenylmethyl]piperazine SMILES: C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
| PubChem CID | 9340 |
|---|---|
| CAS | 303-26-4 |
| Molecular Weight (g/mol) | 286.803 |
| MDL Number | MFCD00005965 |
| SMILES | C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl |
| Synonym | 1-4-chlorobenzhydryl piperazine,norchlorcyclizine,1-4-chlorophenyl phenyl methyl piperazine,n-p-chlorobenzhydryl piperazine,4-4-chlorobenzhydryl piperazine,1-4-chlorophenyl phenylmethyl piperazine,n-4-chlorobenzhydryl piperazine,1-4-chlorophenyl-phenylmethyl piperazine |
| IUPAC Name | 1-[(4-chlorophenyl)-phenylmethyl]piperazine |
| InChI Key | UZKBSZSTDQSMDR-UHFFFAOYSA-N |
| Molecular Formula | C17H19ClN2 |