| CAS Number | 1142210-78-3 |
| Catalog Number | AG00HCUI(AGN-PC-0WB62W) |
| Chemical Name | 3-(2-Fluorophenyl)-3-phenylpropanoic acid |
| IUPAC Name | 3-(2-fluorophenyl)-3-phenylpropanoic acid |
| InChI | InChI=1S/C15H13FO2/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 | VXCPNMWDGXASRW-UHFFFAOYSA-N |
| MDL Number | MFCD12028377 |
| Molecular Formula | C15H13FO2 |
| Molecular Weight | 244.2609 |
| SMILES | C(C1=CC=CC=C1)(CC(O)=O)C1C=CC=CC=1F |
| Synonyms | 3-(2-fluorophenyl)-3-phenylpropanoic acid,
1142210-78-3,
CTK7J1820,
ALBB-009710,
ZX-AN008570,
ZX-CM010141,
MFCD12028377,
STK506039,
AKOS005172115,
TR-061361,
benzenepropanoic acid, 2-fluoro-beta-phenyl-,
Y-7002,
3-(2-chlorophenyl)-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 | 244.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.265g/mol |
| Monoisotopic Mass | 244.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number