| CAS Number | 41201-57-4 |
| Catalog Number | AG019Y05 |
| Chemical Name | 3-(3-Fluorophenyl)-2-methylpropanoic acid |
| IUPAC Name | 3-(3-fluorophenyl)-2-methylpropanoic acid |
| InChI | InChI=1S/C10H11FO2/c1-7(10(12)13)5-8-3-2-4-9(11)6-8/h2-4,6-7H,5H2,1H3,(H,12,13) |
| InChI Key | ZNGQTWWSSQMYIO-UHFFFAOYSA-N |
| MDL Number | MFCD12152850 |
| Molecular Formula | C10H11FO2 |
| Molecular Weight | 182.1915 |
| SMILES | CC(C(O)=O)CC1=CC(F)=CC=C1 |
| Synonyms | 3-(3-fluorophenyl)-2-methylpropanoic acid,
41201-57-4,
AC1Q1QYV,
3-(3-Fluoro-phenyl)-2-methyl-propionic acid,
SCHEMBL11806475,
CTK7I4470,
ZNGQTWWSSQMYIO-UHFFFAOYSA-N,
AKOS000345374,
AKOS016050917,
alpha-methyl-3-fluorohydrocinnamic acid,
MCULE-2517739295,
NE15427,
EN300-56537,
A1-08494,
2-(3-Fluorobenzyl)propanoic acid,
|
| 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 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number