Benzenoids
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1-Bromo-3-chloro-5-fluorobenzene 98.0+%, TCI America™
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CAS: 33863-76-2 Molecular Formula: C6H3BrClF Molecular Weight (g/mol): 209.442 MDL Number: MFCD00070747 InChI Key: GGMDFPMASIXEIR-UHFFFAOYSA-N Synonym: 3-chloro-5-fluorobromobenzene,1-bromo3-chloro-5-fluorobenzene,1-bromo-3-chloro-5-fluoro-benzene,benzene, 1-bromo-3-chloro-5-fluoro,1,3,5-fluorochlorobromobenzene,pubchem2261,acmc-209i3i,ksc494q7t,3-chloro-5-fluoro-bromobenzene,1-bromo-3-chloro-5-flurobenzene PubChem CID: 2736223 IUPAC Name: 1-bromo-3-chloro-5-fluorobenzene SMILES: C1=C(C=C(C=C1Cl)Br)F
| PubChem CID | 2736223 |
|---|---|
| CAS | 33863-76-2 |
| Molecular Weight (g/mol) | 209.442 |
| MDL Number | MFCD00070747 |
| SMILES | C1=C(C=C(C=C1Cl)Br)F |
| Synonym | 3-chloro-5-fluorobromobenzene,1-bromo3-chloro-5-fluorobenzene,1-bromo-3-chloro-5-fluoro-benzene,benzene, 1-bromo-3-chloro-5-fluoro,1,3,5-fluorochlorobromobenzene,pubchem2261,acmc-209i3i,ksc494q7t,3-chloro-5-fluoro-bromobenzene,1-bromo-3-chloro-5-flurobenzene |
| IUPAC Name | 1-bromo-3-chloro-5-fluorobenzene |
| InChI Key | GGMDFPMASIXEIR-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClF |
5-Methyl-2-(2H-1,2,3-triazol-2-yl)benzoic Acid 98.0+%, TCI America™
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CAS: 956317-36-5 Molecular Formula: C10H9N3O2 Molecular Weight (g/mol): 203.201 MDL Number: MFCD18382679 InChI Key: SRBAGFIYKNQXDV-UHFFFAOYSA-N PubChem CID: 53260165 IUPAC Name: 5-methyl-2-(triazol-2-yl)benzoic acid SMILES: CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)O
| PubChem CID | 53260165 |
|---|---|
| CAS | 956317-36-5 |
| Molecular Weight (g/mol) | 203.201 |
| MDL Number | MFCD18382679 |
| SMILES | CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)O |
| IUPAC Name | 5-methyl-2-(triazol-2-yl)benzoic acid |
| InChI Key | SRBAGFIYKNQXDV-UHFFFAOYSA-N |
| Molecular Formula | C10H9N3O2 |
Dipotassium 2-Naphthol-6,8-disulfonate Hydrate 98.0+%, TCI America™
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CAS: 842-18-2 Molecular Formula: C10H6K2O7S2 Molecular Weight (g/mol): 380.47 MDL Number: MFCD00066361 InChI Key: LKDMVWRBMGEEGR-UHFFFAOYSA-L Synonym: dipotassium 2-naphthol-6,8-disulfonate,dipotassium 7-hydroxynaphthalene-1,3-disulphonate,unii-i4s7vvu23a,1,3-naphthalenedisulfonic acid, 7-hydroxy-, dipotassium salt,2-naphthol-6,8-disulfonic acid dipotassium salt,dipotassium 7-hydroxynaphthalene-1,3-disulfonate,i4s7vvu23a,dipotassium 7-hydroxy-1,3-naphthalenedisulfonate,7-hydroxy-1,3-naphthalenedisulfonic acid dipotassium salt,g acid dipotassium salt PubChem CID: 70050 IUPAC Name: dipotassium 7-hydroxynaphthalene-1,3-disulfonate SMILES: [K+].[K+].OC1=CC=C2C=C(C=C(C2=C1)S([O-])(=O)=O)S([O-])(=O)=O
| PubChem CID | 70050 |
|---|---|
| CAS | 842-18-2 |
| Molecular Weight (g/mol) | 380.47 |
| MDL Number | MFCD00066361 |
| SMILES | [K+].[K+].OC1=CC=C2C=C(C=C(C2=C1)S([O-])(=O)=O)S([O-])(=O)=O |
| Synonym | dipotassium 2-naphthol-6,8-disulfonate,dipotassium 7-hydroxynaphthalene-1,3-disulphonate,unii-i4s7vvu23a,1,3-naphthalenedisulfonic acid, 7-hydroxy-, dipotassium salt,2-naphthol-6,8-disulfonic acid dipotassium salt,dipotassium 7-hydroxynaphthalene-1,3-disulfonate,i4s7vvu23a,dipotassium 7-hydroxy-1,3-naphthalenedisulfonate,7-hydroxy-1,3-naphthalenedisulfonic acid dipotassium salt,g acid dipotassium salt |
| IUPAC Name | dipotassium 7-hydroxynaphthalene-1,3-disulfonate |
| InChI Key | LKDMVWRBMGEEGR-UHFFFAOYSA-L |
| Molecular Formula | C10H6K2O7S2 |
3,4-Dichlorobenzotrifluoride 98.0+%, TCI America™
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CAS: 328-84-7 Molecular Formula: C7H3Cl2F3 Molecular Weight (g/mol): 214.996 MDL Number: MFCD00000555 InChI Key: XILPLWOGHPSJBK-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzotrifluoride,1,2-dichloro-4-trifluoromethyl benzene,benzene, 1,2-dichloro-4-trifluoromethyl,3,4-dichloro-alpha,alpha,alpha-trifluorotoluene,3,4-dichlorotrifluoromethylbenzene,unii-7g60xcu4gg,3,4-dichlorophenyltrifluoromethane,7g60xcu4gg,3,4-dichloro-1-trifluoromethyl benzene,3,4-dcbte PubChem CID: 9481 IUPAC Name: 1,2-dichloro-4-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)Cl
| PubChem CID | 9481 |
|---|---|
| CAS | 328-84-7 |
| Molecular Weight (g/mol) | 214.996 |
| MDL Number | MFCD00000555 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Cl)Cl |
| Synonym | 3,4-dichlorobenzotrifluoride,1,2-dichloro-4-trifluoromethyl benzene,benzene, 1,2-dichloro-4-trifluoromethyl,3,4-dichloro-alpha,alpha,alpha-trifluorotoluene,3,4-dichlorotrifluoromethylbenzene,unii-7g60xcu4gg,3,4-dichlorophenyltrifluoromethane,7g60xcu4gg,3,4-dichloro-1-trifluoromethyl benzene,3,4-dcbte |
| IUPAC Name | 1,2-dichloro-4-(trifluoromethyl)benzene |
| InChI Key | XILPLWOGHPSJBK-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl2F3 |
1,2,3-Tribromobenzene 98.0+%, TCI America™
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CAS: 608-21-9 Molecular Formula: C6H3Br3 Molecular Weight (g/mol): 314.80 MDL Number: MFCD00192668 InChI Key: GMVJKSNPLYBFSO-UHFFFAOYSA-N PubChem CID: 11842 IUPAC Name: 1,2,3-tribromobenzene SMILES: BrC1=CC=CC(Br)=C1Br
| PubChem CID | 11842 |
|---|---|
| CAS | 608-21-9 |
| Molecular Weight (g/mol) | 314.80 |
| MDL Number | MFCD00192668 |
| SMILES | BrC1=CC=CC(Br)=C1Br |
| IUPAC Name | 1,2,3-tribromobenzene |
| InChI Key | GMVJKSNPLYBFSO-UHFFFAOYSA-N |
| Molecular Formula | C6H3Br3 |
3-(Trifluoromethyl)benzenesulfonyl Chloride 98.0+%, TCI America™
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CAS: 777-44-6 Molecular Formula: C7H4ClF3O2S Molecular Weight (g/mol): 244.612 MDL Number: MFCD00014724 InChI Key: ONCAZCNPWWQQMW-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzenesulfonyl chloride,3-trifluoromethyl benzene-1-sulfonyl chloride,m-trifluoromethylbenzenesulfonyl chloride,3-trifluoromethyl benzenesulphonyl chloride,3-trifluoromethylbenzenesulfochloride,3-trifluoromethyl benzenesulfonylchloride,benzenesulfonyl chloride, 3-trifluoromethyl,3-chlorosulphonyl benzotrifluoride,m-trifluoromethylphenylsulfonyl chloride,3-trifluoromethyl-benzenesulfonyl chloride PubChem CID: 2733250 IUPAC Name: 3-(trifluoromethyl)benzenesulfonyl chloride SMILES: C1=CC(=CC(=C1)S(=O)(=O)Cl)C(F)(F)F
| PubChem CID | 2733250 |
|---|---|
| CAS | 777-44-6 |
| Molecular Weight (g/mol) | 244.612 |
| MDL Number | MFCD00014724 |
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)Cl)C(F)(F)F |
| Synonym | 3-trifluoromethyl benzenesulfonyl chloride,3-trifluoromethyl benzene-1-sulfonyl chloride,m-trifluoromethylbenzenesulfonyl chloride,3-trifluoromethyl benzenesulphonyl chloride,3-trifluoromethylbenzenesulfochloride,3-trifluoromethyl benzenesulfonylchloride,benzenesulfonyl chloride, 3-trifluoromethyl,3-chlorosulphonyl benzotrifluoride,m-trifluoromethylphenylsulfonyl chloride,3-trifluoromethyl-benzenesulfonyl chloride |
| IUPAC Name | 3-(trifluoromethyl)benzenesulfonyl chloride |
| InChI Key | ONCAZCNPWWQQMW-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClF3O2S |
2-Hydroxy-1-naphthaldehyde 98.0+%, TCI America™
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CAS: 708-06-5 Molecular Formula: C11H8O2 Molecular Weight (g/mol): 172.183 MDL Number: MFCD00004005 InChI Key: NTCCNERMXRIPTR-UHFFFAOYSA-N Synonym: 2-hydroxy-1-naphthaldehyde,1-formyl-2-naphthol,2-hydroxy-1-naphthylaldehyde,2-hydroxy-1-napthaldehyde,2-hydroxynaphthaldehyde,2-naphthol 1-carboxaldehyde,2-hydroxy-1-naphthalaldehyde,1-naphthalenecarboxaldehyde, 2-hydroxy,2-hydroxy-1-naphthalenecarboxaldehyde,1-hydroxy-2-naphthalenecarboxaldehyde PubChem CID: 12819 IUPAC Name: 2-hydroxynaphthalene-1-carbaldehyde SMILES: C1=CC=C2C(=C1)C=CC(=C2C=O)O
| PubChem CID | 12819 |
|---|---|
| CAS | 708-06-5 |
| Molecular Weight (g/mol) | 172.183 |
| MDL Number | MFCD00004005 |
| SMILES | C1=CC=C2C(=C1)C=CC(=C2C=O)O |
| Synonym | 2-hydroxy-1-naphthaldehyde,1-formyl-2-naphthol,2-hydroxy-1-naphthylaldehyde,2-hydroxy-1-napthaldehyde,2-hydroxynaphthaldehyde,2-naphthol 1-carboxaldehyde,2-hydroxy-1-naphthalaldehyde,1-naphthalenecarboxaldehyde, 2-hydroxy,2-hydroxy-1-naphthalenecarboxaldehyde,1-hydroxy-2-naphthalenecarboxaldehyde |
| IUPAC Name | 2-hydroxynaphthalene-1-carbaldehyde |
| InChI Key | NTCCNERMXRIPTR-UHFFFAOYSA-N |
| Molecular Formula | C11H8O2 |
3-Phenoxybenzyl Alcohol, TCI America™
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CAS: 13826-35-2 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.237 MDL Number: MFCD00004636 InChI Key: KGANAERDZBAECK-UHFFFAOYSA-N Synonym: 3-phenoxybenzyl alcohol,3-phenoxyphenyl methanol,3-phenoxybenzylalcohol,m-phenoxybenzyl alcohol,3-phenoxybenzenemethanol,benzenemethanol, 3-phenoxy,3-hydroxymethyl diphenyl ether,3-phenoxybenzylic alcohol,benzyl alcohol, m-phenoxy,3-pboh PubChem CID: 26295 ChEBI: CHEBI:62527 IUPAC Name: (3-phenoxyphenyl)methanol SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)CO
| PubChem CID | 26295 |
|---|---|
| CAS | 13826-35-2 |
| Molecular Weight (g/mol) | 200.237 |
| ChEBI | CHEBI:62527 |
| MDL Number | MFCD00004636 |
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)CO |
| Synonym | 3-phenoxybenzyl alcohol,3-phenoxyphenyl methanol,3-phenoxybenzylalcohol,m-phenoxybenzyl alcohol,3-phenoxybenzenemethanol,benzenemethanol, 3-phenoxy,3-hydroxymethyl diphenyl ether,3-phenoxybenzylic alcohol,benzyl alcohol, m-phenoxy,3-pboh |
| IUPAC Name | (3-phenoxyphenyl)methanol |
| InChI Key | KGANAERDZBAECK-UHFFFAOYSA-N |
| Molecular Formula | C13H12O2 |
3-Bromobenzonitrile 98.0+%, TCI America™
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CAS: 6952-59-6 Molecular Formula: C7H4BrN Molecular Weight (g/mol): 182.02 MDL Number: MFCD00001796 InChI Key: STXAVEHFKAXGOX-UHFFFAOYSA-N Synonym: m-bromobenzonitrile,benzonitrile, 3-bromo,benzonitrile, m-bromo,3-cyanobromobenzene,1-bromo-3-cyanobenzene,3-bromobenzenecarbonitrile,3-bromo benzonitrile,3-bromobenzonitride,m-brombenzonitril,3-brombenzonitrile PubChem CID: 23381 IUPAC Name: 3-bromobenzonitrile SMILES: BrC1=CC=CC(=C1)C#N
| PubChem CID | 23381 |
|---|---|
| CAS | 6952-59-6 |
| Molecular Weight (g/mol) | 182.02 |
| MDL Number | MFCD00001796 |
| SMILES | BrC1=CC=CC(=C1)C#N |
| Synonym | m-bromobenzonitrile,benzonitrile, 3-bromo,benzonitrile, m-bromo,3-cyanobromobenzene,1-bromo-3-cyanobenzene,3-bromobenzenecarbonitrile,3-bromo benzonitrile,3-bromobenzonitride,m-brombenzonitril,3-brombenzonitrile |
| IUPAC Name | 3-bromobenzonitrile |
| InChI Key | STXAVEHFKAXGOX-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrN |
m-Toluidine Hydrochloride 98.0+%, TCI America™
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CAS: 638-03-9 Molecular Formula: C7H10ClN Molecular Weight (g/mol): 143.614 MDL Number: MFCD00070607 InChI Key: VDXZPXIEEVOGLV-UHFFFAOYSA-N PubChem CID: 522105 IUPAC Name: 3-methylaniline;hydrochloride SMILES: CC1=CC(=CC=C1)N.Cl
| PubChem CID | 522105 |
|---|---|
| CAS | 638-03-9 |
| Molecular Weight (g/mol) | 143.614 |
| MDL Number | MFCD00070607 |
| SMILES | CC1=CC(=CC=C1)N.Cl |
| IUPAC Name | 3-methylaniline;hydrochloride |
| InChI Key | VDXZPXIEEVOGLV-UHFFFAOYSA-N |
| Molecular Formula | C7H10ClN |
4-Chlorobenzophenone 98.0+%, TCI America™
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CAS: 134-85-0 Molecular Formula: C13H9ClO Molecular Weight (g/mol): 216.664 MDL Number: MFCD00000622 InChI Key: UGVRJVHOJNYEHR-UHFFFAOYSA-N Synonym: 4-chlorobenzophenone,4-chlorophenyl phenyl methanone,p-chlorobenzophenone,methanone, 4-chlorophenyl phenyl,benzophenone, 4-chloro,p-cbp,unii-wih1iz728u,4-chloro benzophenone,4-chlorophenyl-phenylmethanone,wih1iz728u PubChem CID: 8653 IUPAC Name: (4-chlorophenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
| PubChem CID | 8653 |
|---|---|
| CAS | 134-85-0 |
| Molecular Weight (g/mol) | 216.664 |
| MDL Number | MFCD00000622 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl |
| Synonym | 4-chlorobenzophenone,4-chlorophenyl phenyl methanone,p-chlorobenzophenone,methanone, 4-chlorophenyl phenyl,benzophenone, 4-chloro,p-cbp,unii-wih1iz728u,4-chloro benzophenone,4-chlorophenyl-phenylmethanone,wih1iz728u |
| IUPAC Name | (4-chlorophenyl)-phenylmethanone |
| InChI Key | UGVRJVHOJNYEHR-UHFFFAOYSA-N |
| Molecular Formula | C13H9ClO |
2-Formylbenzonitrile 99.0+%, TCI America™
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CAS: 7468-67-9 Molecular Formula: C8H5NO Molecular Weight (g/mol): 131.13 MDL Number: MFCD00017503 InChI Key: QVTPWONEVZJCCS-UHFFFAOYSA-N Synonym: 2-cyanobenzaldehyde,o-cyanobenzaldehyde,benzonitrile, 2-formyl,cyanobenzaldehyde,2-formylbenzenecarbonitrile,2-cyano-benzaldehyde,2-formyl-benzonitrile,pubchem7409,#,acmc-1blgc PubChem CID: 101209 IUPAC Name: 2-formylbenzonitrile SMILES: O=CC1=CC=CC=C1C#N
| PubChem CID | 101209 |
|---|---|
| CAS | 7468-67-9 |
| Molecular Weight (g/mol) | 131.13 |
| MDL Number | MFCD00017503 |
| SMILES | O=CC1=CC=CC=C1C#N |
| Synonym | 2-cyanobenzaldehyde,o-cyanobenzaldehyde,benzonitrile, 2-formyl,cyanobenzaldehyde,2-formylbenzenecarbonitrile,2-cyano-benzaldehyde,2-formyl-benzonitrile,pubchem7409,#,acmc-1blgc |
| IUPAC Name | 2-formylbenzonitrile |
| InChI Key | QVTPWONEVZJCCS-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO |
2,7-Dibromo-9,9-bis[3-(dimethylamino)propyl]fluorene 98.0+%, TCI America™
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CAS: 673474-73-2 Molecular Formula: C23H30Br2N2 Molecular Weight (g/mol): 494.32 MDL Number: MFCD22988888 InChI Key: RJIWYGUYDXBQCJ-UHFFFAOYSA-N PubChem CID: 71721491 IUPAC Name: (3-{2,7-dibromo-9-[3-(dimethylamino)propyl]-9H-fluoren-9-yl}propyl)dimethylamine SMILES: CN(C)CCCC1(CCCN(C)C)C2=C(C=CC(Br)=C2)C2=C1C=C(Br)C=C2
| PubChem CID | 71721491 |
|---|---|
| CAS | 673474-73-2 |
| Molecular Weight (g/mol) | 494.32 |
| MDL Number | MFCD22988888 |
| SMILES | CN(C)CCCC1(CCCN(C)C)C2=C(C=CC(Br)=C2)C2=C1C=C(Br)C=C2 |
| IUPAC Name | (3-{2,7-dibromo-9-[3-(dimethylamino)propyl]-9H-fluoren-9-yl}propyl)dimethylamine |
| InChI Key | RJIWYGUYDXBQCJ-UHFFFAOYSA-N |
| Molecular Formula | C23H30Br2N2 |
Tribenzylamine 99.0+%, TCI America™
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CAS: 620-40-6 Molecular Formula: C21H21N Molecular Weight (g/mol): 287.41 MDL Number: MFCD00004773 InChI Key: MXHTZQSKTCCMFG-UHFFFAOYSA-N Synonym: tribenzylamine,benzenemethanamine, n,n-bis phenylmethyl,unii-hz10o1931j,trisbenzylamine,n,n-dibenzyl-1-phenyl-methanamine,pubchem21076,acmc-1atok,dsstox_cid_27031,dsstox_rid_82052 PubChem CID: 24321 IUPAC Name: tribenzylamine SMILES: C(N(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 24321 |
|---|---|
| CAS | 620-40-6 |
| Molecular Weight (g/mol) | 287.41 |
| MDL Number | MFCD00004773 |
| SMILES | C(N(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | tribenzylamine,benzenemethanamine, n,n-bis phenylmethyl,unii-hz10o1931j,trisbenzylamine,n,n-dibenzyl-1-phenyl-methanamine,pubchem21076,acmc-1atok,dsstox_cid_27031,dsstox_rid_82052 |
| IUPAC Name | tribenzylamine |
| InChI Key | MXHTZQSKTCCMFG-UHFFFAOYSA-N |
| Molecular Formula | C21H21N |
5-Chloro-2-fluorotoluene 97.0+%, TCI America™
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CAS: 452-66-4 Molecular Formula: C7H6ClF Molecular Weight (g/mol): 144.573 MDL Number: MFCD00018504 InChI Key: JOXXHDGUTVUBDL-UHFFFAOYSA-N Synonym: 5-chloro-2-fluorotoluene,2-fluoro-5-chlorotoluene,benzene, 4-chloro-1-fluoro-2-methyl,pubchem1609,acmc-209k1f,5-chloro-2-fluoro-toluene,ksc493m8d,joxxhdgutvubdl-uhfffaoysa,1-chloro-4-fluoro-3-methylbenzene PubChem CID: 2725113 IUPAC Name: 4-chloro-1-fluoro-2-methylbenzene SMILES: CC1=C(C=CC(=C1)Cl)F
| PubChem CID | 2725113 |
|---|---|
| CAS | 452-66-4 |
| Molecular Weight (g/mol) | 144.573 |
| MDL Number | MFCD00018504 |
| SMILES | CC1=C(C=CC(=C1)Cl)F |
| Synonym | 5-chloro-2-fluorotoluene,2-fluoro-5-chlorotoluene,benzene, 4-chloro-1-fluoro-2-methyl,pubchem1609,acmc-209k1f,5-chloro-2-fluoro-toluene,ksc493m8d,joxxhdgutvubdl-uhfffaoysa,1-chloro-4-fluoro-3-methylbenzene |
| IUPAC Name | 4-chloro-1-fluoro-2-methylbenzene |
| InChI Key | JOXXHDGUTVUBDL-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClF |