| CAS Number | 286947-86-2 |
| Catalog Number | AG00I5D2(AGN-PC-0WB61L) |
| Chemical Name | 3-(2-Chlorophenyl)-3-phenylpropanoic acid |
| IUPAC Name | 3-(2-chlorophenyl)-3-phenylpropanoic acid |
| InChI | InChI=1S/C15H13ClO2/c16-14-9-5-4-8-12(14)13(10-15(17)18)11-6-2-1-3-7-11/h1-9,13H,10H2,(H,17,18) |
| InChI Key | UXRBWQKJQGCCJE-UHFFFAOYSA-N |
| MDL Number | MFCD12028375 |
| Molecular Formula | C15H13ClO2 |
| Molecular Weight | 260.7155 |
| SMILES | C(C1=CC=CC=C1)(CC(O)=O)C1C=CC=CC=1Cl |
| Synonyms | 3-(2-chlorophenyl)-3-phenylpropanoic acid,
286947-86-2,
CTK7J1815,
ALBB-009704,
ZX-AN008564,
ZX-CM010157,
MFCD12028375,
STK506033,
AKOS005172100,
TR-061357,
benzenepropanoic acid, 2-chloro-beta-phenyl-,
Y-7001,
3-(2-fluorophenyl)-3-phenylpropanoic acid,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.717g/mol |
| Monoisotopic Mass | 260.06g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number