| CAS Number | 1181321-00-5 |
| Catalog Number | AG003J7A(AGN-PC-0WP1PH) |
| Chemical Name | 3'-Chloro-2'-methylbiphenyl-3-carboxylic acid |
| IUPAC Name | 3-(3-chloro-2-methylphenyl)benzoic acid |
| InChI | InChI=1S/C14H11ClO2/c1-9-12(6-3-7-13(9)15)10-4-2-5-11(8-10)14(16)17/h2-8H,1H3,(H,16,17) |
| InChI Key | WATQOCAYEWBYRS-UHFFFAOYSA-N |
| MDL Number | MFCD11895768 |
| Molecular Formula | C14H11ClO2 |
| Molecular Weight | 246.6889 |
| SMILES | OC(=O)c1cccc(c1)c1cccc(c1C)Cl |
| Synonyms | 1181321-00-5,
3'-CHLORO-2'-METHYLBIPHENYL-3-CARBOXYLIC ACID,
3-Chloro-2-methylbiphenyl-3-carboxylic acid,
CTK4B0573,
DTXSID60680721,
MFCD11895768,
ZINC33427707,
AKOS015848713,
TR-034190,
3'-Chloro-2'-methyl biphenyl-3-carboxylic acid,
3'-Chloro-2'-methyl[1,1'-biphenyl]-3-carboxylic acid,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number