| CAS Number | 1019127-48-0 |
| Catalog Number | AG01A6BK |
| Chemical Name | methyl 2-[(3,4-difluorophenyl)(hydroxy)methyl]prop-2-enoate |
| IUPAC Name | methyl 2-[(3,4-difluorophenyl)-hydroxymethyl]prop-2-enoate |
| InChI | InChI=1S/C11H10F2O3/c1-6(11(15)16-2)10(14)7-3-4-8(12)9(13)5-7/h3-5,10,14H,1H2,2H3 |
| InChI Key | KISCTUFLCNKUOR-UHFFFAOYSA-N |
| MDL Number | MFCD11130338 |
| Molecular Formula | C11H10F2O3 |
| Molecular Weight | 228.1921 |
| SMILES | COC(C(C(C1=CC(F)=C(F)C=C1)O)=C)=O |
| Synonyms | methyl 2-[(3,4-difluorophenyl)(hydroxy)methyl]prop-2-enoate,
1019127-48-0,
AKOS000209149,
NE33085,
BC4160595,
EN300-132188,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.195g/mol |
| Monoisotopic Mass | 228.06g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number