| CAS Number | 1042815-12-2 |
| Catalog Number | AG01AIZM(AGN-PC-0WCWO0) |
| Chemical Name | 3-(3-Fluorophenyl)butanoic acid |
| IUPAC Name | 3-(3-fluorophenyl)butanoic acid |
| InChI | InChI=1S/C10H11FO2/c1-7(5-10(12)13)8-3-2-4-9(11)6-8/h2-4,6-7H,5H2,1H3,(H,12,13) |
| InChI Key | CVFYWUHOFYTCNJ-UHFFFAOYSA-N |
| MDL Number | MFCD11172867 |
| Molecular Formula | C10H11FO2 |
| Molecular Weight | 182.1915 |
| SMILES | CC(CC(=O)O)C1=CC(=CC=C1)F |
| Synonyms | 3-(3-fluorophenyl)butanoic acid,
1042815-12-2,
SCHEMBL987115,
3-(3-fluorophenyl)butyric acid,
SCHEMBL12883017,
CVFYWUHOFYTCNJ-UHFFFAOYSA-N,
AKOS008113553,
MCULE-4690317270,
NE28437,
EN300-79420,
A1-03486,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.194g/mol |
| Monoisotopic Mass | 182.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number