| CAS Number | 1184525-11-8 |
| Catalog Number | AG00HEJS |
| Chemical Name | 2-Chloro-5-(2-methylphenyl)benzoic acid |
| IUPAC Name | 2-chloro-5-(2-methylphenyl)benzoic acid |
| InChI | InChI=1S/C14H11ClO2/c1-9-4-2-3-5-11(9)10-6-7-13(15)12(8-10)14(16)17/h2-8H,1H3,(H,16,17) |
| InChI Key | YNWTZXXKFXJCND-UHFFFAOYSA-N |
| MDL Number | MFCD12859296 |
| Molecular Formula | C14H11ClO2 |
| Molecular Weight | 246.6889 |
| SMILES | CC1=C(C2=CC(C(O)=O)=C(Cl)C=C2)C=CC=C1 |
| Synonyms | 2-CHLORO-5-(2-METHYLPHENYL)BENZOIC ACID,
1184525-11-8,
4-Chloro-2'-methyl-[1,1'-biphenyl]-3-carboxylic acid,
SCHEMBL5924817,
DTXSID20681198,
MFCD12859296,
ZINC38068280,
AKOS005821126,
4-Chloro-2'-methyl[1,1'-biphenyl]-3-carboxylic acid,
Z2284400417,
|
| 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