| CAS Number | 334018-57-4 |
| Catalog Number | AG00CLTC(AGN-PC-03S45N) |
| Chemical Name | 2-Chloro-4-(4-methylphenyl)benzoic acid |
| IUPAC Name | 2-chloro-4-(4-methylphenyl)benzoic acid |
| InChI | InChI=1S/C14H11ClO2/c1-9-2-4-10(5-3-9)11-6-7-12(14(16)17)13(15)8-11/h2-8H,1H3,(H,16,17) |
| InChI Key | MZJBKGMMCKVKLF-UHFFFAOYSA-N |
| MDL Number | MFCD18318965 |
| Molecular Formula | C14H11ClO2 |
| Molecular Weight | 246.6889 |
| SMILES | Cc1ccc(cc1)c1ccc(c(c1)Cl)C(=O)O |
| Synonyms | 334018-57-4,
3-Chloro-4'-methyl-[1,1'-biphenyl]-4-carboxylic acid,
2-CHLORO-4-(4-METHYLPHENYL)BENZOIC ACID,
ACMC-209i0u,
SCHEMBL6496649,
CTK8B1480,
DTXSID90626172,
ANW-27628,
MFCD18318965,
ZINC65349494,
AJ-115392,
AX8242023,
TC-116373,
3-Chloro-4'-methyl[1,1'-biphenyl]-4-carboxylic acid,
3-Chloro-4'-methyl-[1,1'-biphenyl]-4-carboxylicacid,
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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