| CAS Number | 1262005-97-9 |
| Catalog Number | AG000SC0(AGN-PC-09O01X) |
| Chemical Name | 2-(4-Chlorophenyl)-6-methylbenzoic acid |
| IUPAC Name | 2-(4-chlorophenyl)-6-methylbenzoic acid |
| InChI | InChI=1S/C14H11ClO2/c1-9-3-2-4-12(13(9)14(16)17)10-5-7-11(15)8-6-10/h2-8H,1H3,(H,16,17) |
| InChI Key | KQKGRVRUDSVUEQ-UHFFFAOYSA-N |
| MDL Number | MFCD18319920 |
| Molecular Formula | C14H11ClO2 |
| Molecular Weight | 246.6889 |
| SMILES | Clc1ccc(cc1)c1cccc(c1C(=O)O)C |
| Synonyms | 2-(4-CHLOROPHENYL)-6-METHYLBENZOIC ACID,
1262005-97-9,
ACMC-209baq,
CTK8A9912,
DTXSID70689568,
ANW-18912,
MFCD18319920,
ZINC65350335,
AKOS024438458,
TC-107657,
K-3868,
4'-Chloro-3-methyl[1,1'-biphenyl]-2-carboxylic acid,
[1,1'-Biphenyl]-2-carboxylic acid, 4'-chloro-3-methyl-,
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| Complexity | 271 |
| 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
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Certificate of Analysis
Lot Number