Benzenoids
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Calmagite [Metal indicator for Ca, Mg etc.], TCI America™
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CAS: 3147-14-6 Molecular Formula: C17H14N2O5S Molecular Weight (g/mol): 358.368 MDL Number: MFCD00011656 InChI Key: ASFVMSDYPYMUFL-UHFFFAOYSA-N Synonym: calmagite,calmagite, indicator grade,1-naphthalenesulfonic acid, 3-hydroxy-4-2-hydroxy-5-methylphenyl azo,3-hydroxy-4-6-hydroxy-m-tolyl azo-1-naphthalenesulfonic acid,calmagite indicator grade,1-naphthalenesulfonic acid, 3-hydroxy-4-2-2-hydroxy-5-methylphenyl diazenyl,vbrnloqcbcpphl-uhfffaoysa-n,calmagite metalindicatorforca,mgetc.,3-hydroxy-4-2-hydroxy-5-methyl-phenylazo-1-naphthalenesulfonic acid,e-3-hydroxy-4-2-hydroxy-5-methylphenyl diazenyl naphthalene-1-sulfonic acid PubChem CID: 6364506 IUPAC Name: 4-[(2-hydroxy-5-methylphenyl)hydrazinylidene]-3-oxonaphthalene-1-sulfonic acid SMILES: CC1=CC(=C(C=C1)O)NN=C2C3=CC=CC=C3C(=CC2=O)S(=O)(=O)O
| PubChem CID | 6364506 |
|---|---|
| CAS | 3147-14-6 |
| Molecular Weight (g/mol) | 358.368 |
| MDL Number | MFCD00011656 |
| SMILES | CC1=CC(=C(C=C1)O)NN=C2C3=CC=CC=C3C(=CC2=O)S(=O)(=O)O |
| Synonym | calmagite,calmagite, indicator grade,1-naphthalenesulfonic acid, 3-hydroxy-4-2-hydroxy-5-methylphenyl azo,3-hydroxy-4-6-hydroxy-m-tolyl azo-1-naphthalenesulfonic acid,calmagite indicator grade,1-naphthalenesulfonic acid, 3-hydroxy-4-2-2-hydroxy-5-methylphenyl diazenyl,vbrnloqcbcpphl-uhfffaoysa-n,calmagite metalindicatorforca,mgetc.,3-hydroxy-4-2-hydroxy-5-methyl-phenylazo-1-naphthalenesulfonic acid,e-3-hydroxy-4-2-hydroxy-5-methylphenyl diazenyl naphthalene-1-sulfonic acid |
| IUPAC Name | 4-[(2-hydroxy-5-methylphenyl)hydrazinylidene]-3-oxonaphthalene-1-sulfonic acid |
| InChI Key | ASFVMSDYPYMUFL-UHFFFAOYSA-N |
| Molecular Formula | C17H14N2O5S |
Carbonylchlorobis(triphenylphosphine)iridium(I) 95.0+%, TCI America™
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CAS: 14871-41-1 Molecular Formula: C37H30ClIrOP2 Molecular Weight (g/mol): 780.26 MDL Number: MFCD00009590 InChI Key: PEPSDKMVHYXIMJ-UHFFFAOYSA-M Synonym: carbonylchlorobis triphenylphosphine iridium i PubChem CID: 78076234 IUPAC Name: chloroiridiumylium; methanidylidyneoxidanium; bis(triphenylphosphane) SMILES: Cl[Ir+].[C-]#[O+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 78076234 |
|---|---|
| CAS | 14871-41-1 |
| Molecular Weight (g/mol) | 780.26 |
| MDL Number | MFCD00009590 |
| SMILES | Cl[Ir+].[C-]#[O+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | carbonylchlorobis triphenylphosphine iridium i |
| IUPAC Name | chloroiridiumylium; methanidylidyneoxidanium; bis(triphenylphosphane) |
| InChI Key | PEPSDKMVHYXIMJ-UHFFFAOYSA-M |
| Molecular Formula | C37H30ClIrOP2 |
2,4-Dichlorophenylhydrazine Hydrochloride 98.0+%, TCI America™
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CAS: 5446-18-4 Molecular Formula: C6H7Cl3N2 Molecular Weight (g/mol): 213.486 MDL Number: MFCD00012929 InChI Key: DDWYGJVFURAIJZ-UHFFFAOYSA-N Synonym: 2,4-dichlorophenylhydrazine hydrochloride,2,4-dichlorophenyl hydrazine hydrochloride,2,4-dichlorophenyl hydrazine monohydrochloride,2,4-dichlorophenylhydrazine hcl,2,4-dichloro-phenyl-hydrazine hydrochloride,1-2,4-dichlorophenyl hydrazine hydrochloride,hydrazine, 2,4-dichlorophenyl-, monohydrochloride,pubchem7524,acmc-209lgs,ksc491e2h PubChem CID: 2723905 IUPAC Name: (2,4-dichlorophenyl)hydrazine;hydrochloride SMILES: C1=CC(=C(C=C1Cl)Cl)NN.Cl
| PubChem CID | 2723905 |
|---|---|
| CAS | 5446-18-4 |
| Molecular Weight (g/mol) | 213.486 |
| MDL Number | MFCD00012929 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)NN.Cl |
| Synonym | 2,4-dichlorophenylhydrazine hydrochloride,2,4-dichlorophenyl hydrazine hydrochloride,2,4-dichlorophenyl hydrazine monohydrochloride,2,4-dichlorophenylhydrazine hcl,2,4-dichloro-phenyl-hydrazine hydrochloride,1-2,4-dichlorophenyl hydrazine hydrochloride,hydrazine, 2,4-dichlorophenyl-, monohydrochloride,pubchem7524,acmc-209lgs,ksc491e2h |
| IUPAC Name | (2,4-dichlorophenyl)hydrazine;hydrochloride |
| InChI Key | DDWYGJVFURAIJZ-UHFFFAOYSA-N |
| Molecular Formula | C6H7Cl3N2 |
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 |
9-Fluorenone Oxime 97.0+%, TCI America™
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CAS: 2157-52-0 Molecular Formula: C13H9NO Molecular Weight (g/mol): 195.221 MDL Number: MFCD00016356 InChI Key: CRNNFEKVPRFZKJ-UHFFFAOYSA-N Synonym: 9-fluorenone oxime,9h-fluoren-9-one oxime,fluorenone oxime,9-oximinofluorene,fluorenone-9-oxime,9h-fluoren-9-one, oxime,fluoren-9-one, oxime,fluoren-9-one oxime,9-hydroxyimino fluorene,fluorenonoxim PubChem CID: 16543 IUPAC Name: N-fluoren-9-ylidenehydroxylamine SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2=NO
| PubChem CID | 16543 |
|---|---|
| CAS | 2157-52-0 |
| Molecular Weight (g/mol) | 195.221 |
| MDL Number | MFCD00016356 |
| SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3C2=NO |
| Synonym | 9-fluorenone oxime,9h-fluoren-9-one oxime,fluorenone oxime,9-oximinofluorene,fluorenone-9-oxime,9h-fluoren-9-one, oxime,fluoren-9-one, oxime,fluoren-9-one oxime,9-hydroxyimino fluorene,fluorenonoxim |
| IUPAC Name | N-fluoren-9-ylidenehydroxylamine |
| InChI Key | CRNNFEKVPRFZKJ-UHFFFAOYSA-N |
| Molecular Formula | C13H9NO |
Cyclopropyl Phenyl Sulfide 98.0+%, TCI America™
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CAS: 14633-54-6 Molecular Formula: C9H10S Molecular Weight (g/mol): 150.24 MDL Number: MFCD00009684 InChI Key: YIBKCPJOFAUAKY-UHFFFAOYSA-N Synonym: cyclopropyl phenyl sulfide,cyclopropyl phenyl sulfane,cyclopropylsulfanyl benzene,benzene, cyclopropylthio,cyclopropylphenylsulfide,cyclopropyl phenyl sulphide,unii-72c99lp48p,cyclopropylsulfanyl-benzene,pubchem10736,cyclopropylphenyl sulfide PubChem CID: 123348 IUPAC Name: (cyclopropylsulfanyl)benzene SMILES: C1CC1SC1=CC=CC=C1
| PubChem CID | 123348 |
|---|---|
| CAS | 14633-54-6 |
| Molecular Weight (g/mol) | 150.24 |
| MDL Number | MFCD00009684 |
| SMILES | C1CC1SC1=CC=CC=C1 |
| Synonym | cyclopropyl phenyl sulfide,cyclopropyl phenyl sulfane,cyclopropylsulfanyl benzene,benzene, cyclopropylthio,cyclopropylphenylsulfide,cyclopropyl phenyl sulphide,unii-72c99lp48p,cyclopropylsulfanyl-benzene,pubchem10736,cyclopropylphenyl sulfide |
| IUPAC Name | (cyclopropylsulfanyl)benzene |
| InChI Key | YIBKCPJOFAUAKY-UHFFFAOYSA-N |
| Molecular Formula | C9H10S |
Di-p-tolylmethane 99.0+%, TCI America™
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CAS: 4957-14-6 Molecular Formula: C15H16 Molecular Weight (g/mol): 196.293 MDL Number: MFCD00026018 InChI Key: HZAWPPRBCALFRN-UHFFFAOYSA-N Synonym: 4,4′C-Dimethyldiphenylmethane PubChem CID: 21071 IUPAC Name: 1-methyl-4-[(4-methylphenyl)methyl]benzene SMILES: CC1=CC=C(C=C1)CC2=CC=C(C=C2)C
| PubChem CID | 21071 |
|---|---|
| CAS | 4957-14-6 |
| Molecular Weight (g/mol) | 196.293 |
| MDL Number | MFCD00026018 |
| SMILES | CC1=CC=C(C=C1)CC2=CC=C(C=C2)C |
| Synonym | 4,4′C-Dimethyldiphenylmethane |
| IUPAC Name | 1-methyl-4-[(4-methylphenyl)methyl]benzene |
| InChI Key | HZAWPPRBCALFRN-UHFFFAOYSA-N |
| Molecular Formula | C15H16 |
Picene (purified by sublimation) (>99.9%) 99.9+%, TCI America™
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CAS: 213-46-7 Molecular Formula: C22H14 Molecular Weight (g/mol): 278.354 MDL Number: MFCD00215857 InChI Key: GBROPGWFBFCKAG-UHFFFAOYSA-N Synonym: 3,4-benzchrysene,pycene,benzo a chrysene,1,2:7,8-dibenzophenanthrene,beta,beta-binaphthyleneethene,dibenzo a,i phenanthrene,1,2,7,8-dibenzphenanthrene,unii-f70r8zbr7t,f70r8zbr7t PubChem CID: 9162 ChEBI: CHEBI:33090 IUPAC Name: picene SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CC5=CC=CC=C54
| PubChem CID | 9162 |
|---|---|
| CAS | 213-46-7 |
| Molecular Weight (g/mol) | 278.354 |
| ChEBI | CHEBI:33090 |
| MDL Number | MFCD00215857 |
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CC5=CC=CC=C54 |
| Synonym | 3,4-benzchrysene,pycene,benzo a chrysene,1,2:7,8-dibenzophenanthrene,beta,beta-binaphthyleneethene,dibenzo a,i phenanthrene,1,2,7,8-dibenzphenanthrene,unii-f70r8zbr7t,f70r8zbr7t |
| IUPAC Name | picene |
| InChI Key | GBROPGWFBFCKAG-UHFFFAOYSA-N |
| Molecular Formula | C22H14 |
2,4,6-Tribromoresorcinol 98.0+%, TCI America™
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CAS: 2437-49-2 Molecular Formula: C6H3Br3O2 Molecular Weight (g/mol): 346.8 MDL Number: MFCD00009717 InChI Key: YADZSMVDNYXOOB-UHFFFAOYSA-N Synonym: 2,4,6-tribromoresorcinol,resorcinol, 2,4,6-tribromo,1,3-benzenediol, 2,4,6-tribromo,2,6-tribromoresorcinol,acmc-209gbn,2,4,6-tribromresorcin,2,4,6-tribromoresorcino,resorcinol,4,6-tribromo,1, 2,4,6-tribromo,4-06-00-05688 beilstein handbook reference PubChem CID: 17094 IUPAC Name: 2,4,6-tribromobenzene-1,3-diol SMILES: C1=C(C(=C(C(=C1Br)O)Br)O)Br
| PubChem CID | 17094 |
|---|---|
| CAS | 2437-49-2 |
| Molecular Weight (g/mol) | 346.8 |
| MDL Number | MFCD00009717 |
| SMILES | C1=C(C(=C(C(=C1Br)O)Br)O)Br |
| Synonym | 2,4,6-tribromoresorcinol,resorcinol, 2,4,6-tribromo,1,3-benzenediol, 2,4,6-tribromo,2,6-tribromoresorcinol,acmc-209gbn,2,4,6-tribromresorcin,2,4,6-tribromoresorcino,resorcinol,4,6-tribromo,1, 2,4,6-tribromo,4-06-00-05688 beilstein handbook reference |
| IUPAC Name | 2,4,6-tribromobenzene-1,3-diol |
| InChI Key | YADZSMVDNYXOOB-UHFFFAOYSA-N |
| Molecular Formula | C6H3Br3O2 |
2-Methoxy-5-(trifluoromethyl)aniline 98.0+%, TCI America™
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CAS: 349-65-5 Molecular Formula: C8H8F3NO Molecular Weight (g/mol): 191.153 MDL Number: MFCD00042486 InChI Key: RKUSRLUGUVDNKP-UHFFFAOYSA-N Synonym: 2-methoxy-5-trifluoromethyl aniline,3-amino-4-methoxybenzotrifluoride,2-amino-4-trifluoromethylanisole,2-methoxy-5-trifluoromethyl-aniline,2-methoxy-5-trifluoromethyl-phenylamine,2-methoxy-5-trifluoromethyl phenylamine,benzenamine, 2-methoxy-5-trifluoromethyl,pubchem2720,acmc-209ic5,4-trifluromethyl-o-anisidine PubChem CID: 600637 IUPAC Name: 2-methoxy-5-(trifluoromethyl)aniline SMILES: COC1=C(C=C(C=C1)C(F)(F)F)N
| PubChem CID | 600637 |
|---|---|
| CAS | 349-65-5 |
| Molecular Weight (g/mol) | 191.153 |
| MDL Number | MFCD00042486 |
| SMILES | COC1=C(C=C(C=C1)C(F)(F)F)N |
| Synonym | 2-methoxy-5-trifluoromethyl aniline,3-amino-4-methoxybenzotrifluoride,2-amino-4-trifluoromethylanisole,2-methoxy-5-trifluoromethyl-aniline,2-methoxy-5-trifluoromethyl-phenylamine,2-methoxy-5-trifluoromethyl phenylamine,benzenamine, 2-methoxy-5-trifluoromethyl,pubchem2720,acmc-209ic5,4-trifluromethyl-o-anisidine |
| IUPAC Name | 2-methoxy-5-(trifluoromethyl)aniline |
| InChI Key | RKUSRLUGUVDNKP-UHFFFAOYSA-N |
| Molecular Formula | C8H8F3NO |
Methyl 3-Methyl-2-nitrobenzoate 98.0+%, TCI America™
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CAS: 5471-82-9 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD01003947 InChI Key: NJHDBIXFFZVJGZ-UHFFFAOYSA-N Synonym: methyl3-methyl-2-nitrobenzoate,methyl 3-methyl-2-nitrobenzenecarboxylate,benzoic acid, 3-methyl-2-nitro-, methyl ester,2-nitro-3-methylbenzoic acid, methyl ester,3-methyl-2-nitrobenzoic acid methyl ester,pubchem10932,acmc-1ap0b,ksc495q9t,methyl 2-nitro-3-methylbenzoate,methyl 3-methyl-2-nitro-benzoate PubChem CID: 79621 IUPAC Name: methyl 3-methyl-2-nitrobenzoate SMILES: CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC
| PubChem CID | 79621 |
|---|---|
| CAS | 5471-82-9 |
| Molecular Weight (g/mol) | 195.174 |
| MDL Number | MFCD01003947 |
| SMILES | CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC |
| Synonym | methyl3-methyl-2-nitrobenzoate,methyl 3-methyl-2-nitrobenzenecarboxylate,benzoic acid, 3-methyl-2-nitro-, methyl ester,2-nitro-3-methylbenzoic acid, methyl ester,3-methyl-2-nitrobenzoic acid methyl ester,pubchem10932,acmc-1ap0b,ksc495q9t,methyl 2-nitro-3-methylbenzoate,methyl 3-methyl-2-nitro-benzoate |
| IUPAC Name | methyl 3-methyl-2-nitrobenzoate |
| InChI Key | NJHDBIXFFZVJGZ-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |
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-Bromobenzamide 98.0+%, TCI America™
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CAS: 22726-00-7 Molecular Formula: C7H6BrNO Molecular Weight (g/mol): 200.035 MDL Number: MFCD00017127 InChI Key: ODJFDWIECLJWSR-UHFFFAOYSA-N Synonym: m-bromobenzamide,benzamide, 3-bromo,3-bromo-benzamide,benzamide, m-bromo,3-carbamoyl bromobenzene,3-bromanylbenzamide,pubchem3734,3-bromophenylcarboxamide,acmc-209fyc,3-bromobenzoic acid amide PubChem CID: 89807 IUPAC Name: 3-bromobenzamide SMILES: C1=CC(=CC(=C1)Br)C(=O)N
| PubChem CID | 89807 |
|---|---|
| CAS | 22726-00-7 |
| Molecular Weight (g/mol) | 200.035 |
| MDL Number | MFCD00017127 |
| SMILES | C1=CC(=CC(=C1)Br)C(=O)N |
| Synonym | m-bromobenzamide,benzamide, 3-bromo,3-bromo-benzamide,benzamide, m-bromo,3-carbamoyl bromobenzene,3-bromanylbenzamide,pubchem3734,3-bromophenylcarboxamide,acmc-209fyc,3-bromobenzoic acid amide |
| IUPAC Name | 3-bromobenzamide |
| InChI Key | ODJFDWIECLJWSR-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO |
3-Bromo-2,5,6-trimethoxybenzoic Acid 97.0+%, TCI America™
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CAS: 101460-22-4 Molecular Formula: C10H11BrO5 Molecular Weight (g/mol): 291.097 MDL Number: MFCD00191620 InChI Key: YHDRAWVCUZZYCU-UHFFFAOYSA-N PubChem CID: 625925 IUPAC Name: 3-bromo-2,5,6-trimethoxybenzoic acid SMILES: COC1=CC(=C(C(=C1OC)C(=O)O)OC)Br
| PubChem CID | 625925 |
|---|---|
| CAS | 101460-22-4 |
| Molecular Weight (g/mol) | 291.097 |
| MDL Number | MFCD00191620 |
| SMILES | COC1=CC(=C(C(=C1OC)C(=O)O)OC)Br |
| IUPAC Name | 3-bromo-2,5,6-trimethoxybenzoic acid |
| InChI Key | YHDRAWVCUZZYCU-UHFFFAOYSA-N |
| Molecular Formula | C10H11BrO5 |
2-Fluorophenylacetone 97.0+%, TCI America™
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CAS: 2836-82-0 Molecular Formula: C9H9FO Molecular Weight (g/mol): 152.168 MDL Number: MFCD00000325 InChI Key: BANVZEUCJHUPOI-UHFFFAOYSA-N Synonym: 2-fluorophenylacetone,1-2-fluorophenyl propan-2-one,1-2-fluorophenyl acetone,2-fluorophenyl acetone,o-fluorophenylacetone,2-propanone, 1-2-fluorophenyl,acmc-20anub,ksc497e4p,1-2-fluorophenyl acetone # PubChem CID: 76086 IUPAC Name: 1-(2-fluorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC=C1F
| PubChem CID | 76086 |
|---|---|
| CAS | 2836-82-0 |
| Molecular Weight (g/mol) | 152.168 |
| MDL Number | MFCD00000325 |
| SMILES | CC(=O)CC1=CC=CC=C1F |
| Synonym | 2-fluorophenylacetone,1-2-fluorophenyl propan-2-one,1-2-fluorophenyl acetone,2-fluorophenyl acetone,o-fluorophenylacetone,2-propanone, 1-2-fluorophenyl,acmc-20anub,ksc497e4p,1-2-fluorophenyl acetone # |
| IUPAC Name | 1-(2-fluorophenyl)propan-2-one |
| InChI Key | BANVZEUCJHUPOI-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO |