| CAS Number | 1215206-65-7 |
| Catalog Number | AG00157F(AGN-PC-0WP1Q0) |
| Chemical Name | 2'-Chloro-3'-methylbiphenyl-3-carboxylic acid |
| IUPAC Name | 3-(2-chloro-3-methylphenyl)benzoic acid |
| InChI | InChI=1S/C14H11ClO2/c1-9-4-2-7-12(13(9)15)10-5-3-6-11(8-10)14(16)17/h2-8H,1H3,(H,16,17) |
| InChI Key | LKZYMTIAXBGCAH-UHFFFAOYSA-N |
| MDL Number | MFCD15143502 |
| Molecular Formula | C14H11ClO2 |
| Molecular Weight | 246.6889 |
| SMILES | OC(=O)c1cccc(c1)c1cccc(c1Cl)C |
| Synonyms | 1215206-65-7,
2'-CHLORO-3'-METHYLBIPHENYL-3-CARBOXYLIC ACID,
3-(2-chloro-3-methylphenyl)benzoic acid,
CTK4B2498,
DTXSID30681780,
MFCD15143502,
ZINC65336937,
AKOS015850170,
TR-034621,
2'-Chloro-3'-methyl biphenyl-3-carboxylic acid,
2'-Chloro-3'-methyl[1,1'-biphenyl]-3-carboxylic acid,
2-Chloro-3-methylbiphenyl-3-carboxylic acid,
3-(4-fluoro-2-methylphenyl)benzoic acid,
874133-65-0,
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| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.69g/mol |
| Monoisotopic Mass | 246.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
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