| CAS Number | 21998-29-8 |
| Catalog Number | AG00I4AF(AGN-PC-0QYJ6Q) |
| Chemical Name | 3-(3-Chlorophenyl)-3-phenylpropanoic acid |
| IUPAC Name | 3-(3-chlorophenyl)-3-phenylpropanoic acid |
| InChI | InChI=1S/C15H13ClO2/c16-13-8-4-7-12(9-13)14(10-15(17)18)11-5-2-1-3-6-11/h1-9,14H,10H2,(H,17,18) |
| InChI Key | YGWFEBLGVWKAGO-UHFFFAOYSA-N |
| MDL Number | MFCD09889818 |
| Molecular Formula | C15H13ClO2 |
| Molecular Weight | 260.7155 |
| SMILES | C1=CC=C(C=C1)C(CC(=O)O)C2=CC(=CC=C2)Cl |
| Synonyms | 3-(3-chlorophenyl)-3-phenylpropanoic acid,
21998-29-8,
SCHEMBL8869652,
CTK6H2374,
ALBB-009716,
ZX-AN008576,
ZX-CM010130,
MFCD09889818,
STK506044,
AKOS005172125,
Benzenepropanoic acid, 3-chloro-b-phenyl-,
TR-061366,
benzenepropanoic acid, 3-chloro-beta-phenyl-,
Y-5943,
|
| 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