| CAS Number | 1038713-54-0 |
| Catalog Number | AG019T8L |
| Chemical Name | 3-Chloro-2-hydroxy-5-phenylbenzoic acid |
| IUPAC Name | 3-chloro-2-hydroxy-5-phenylbenzoic acid |
| InChI | InChI=1S/C13H9ClO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17) |
| InChI Key | RJMZIUFNDNYWDU-UHFFFAOYSA-N |
| MDL Number | MFCD11203649 |
| Molecular Formula | C13H9ClO3 |
| Molecular Weight | 248.6618 |
| SMILES | OC(C1=C(O)C(Cl)=CC(C2=CC=CC=C2)=C1)=O |
| Synonyms | 3-chloro-2-hydroxy-5-phenylbenzoic acid,
1038713-54-0,
CHEMBL1275703,
5-Chloro-4-Hydroxybiphenyl-3-Carboxylic Acid,
SCHEMBL11228183,
5-Phenyl,3-chlorosalicylic acid,
3-chloro-5-phenyl salicylic acid,
BDBM50330427,
ZINC20593727,
AKOS005151382,
MCULE-6755445820,
NE25578,
5-chloro-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid,
Z1297758302,
5P3,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.662g/mol |
| Monoisotopic Mass | 248.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number