| CAS Number | 1542849-70-6 |
| Catalog Number | AG01DVLA |
| Chemical Name | methyl 2-(3-fluoro-5-methylphenyl)propanoate |
| IUPAC Name | methyl 2-(3-fluoro-5-methylphenyl)propanoate |
| InChI | InChI=1S/C11H13FO2/c1-7-4-9(6-10(12)5-7)8(2)11(13)14-3/h4-6,8H,1-3H3 |
| InChI Key | QQQRZMQRASMLRI-UHFFFAOYSA-N |
| MDL Number | MFCD23750671 |
| Molecular Formula | C11H13FO2 |
| Molecular Weight | 196.2181 |
| SMILES | COC(C(C1=CC(F)=CC(C)=C1)C)=O |
| Synonyms | methyl 2-(3-fluoro-5-methylphenyl)propanoate,
1542849-70-6,
AKOS018249510,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.221g/mol |
| Monoisotopic Mass | 196.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number