| CAS Number | 32004-56-1 |
| Catalog Number | AG01DWC4(AGN-PC-0R7D4M) |
| Chemical Name | 3-(3,4-Difluorophenyl)-2-methylpropanoic acid |
| IUPAC Name | 3-(3,4-difluorophenyl)-2-methylpropanoic acid |
| InChI | InChI=1S/C10H10F2O2/c1-6(10(13)14)4-7-2-3-8(11)9(12)5-7/h2-3,5-6H,4H2,1H3,(H,13,14) |
| InChI Key | UBWKSHCOWRUZGP-UHFFFAOYSA-N |
| MDL Number | MFCD23756136 |
| Molecular Formula | C10H10F2O2 |
| Molecular Weight | 200.1820 |
| SMILES | CC(C(O)=O)CC1=CC(F)=C(F)C=C1 |
| Synonyms | 3-(3,4-difluorophenyl)-2-methylpropanoic acid,
32004-56-1,
SCHEMBL6003686,
UBWKSHCOWRUZGP-UHFFFAOYSA-N,
AKOS018286295,
3,4-difluoro-alphamethylhydrocinnamic acid,
3,4-difluoro-alpha-methylhydrocinnamic acid,
A1-08493,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.185g/mol |
| Monoisotopic Mass | 200.065g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number