| CAS Number | 1253180-94-7 |
| Catalog Number | AG018WL2(AGN-PC-0WOLRF) |
| Chemical Name | (E)-Methyl 3-(2,6-difluorophenyl)acrylate |
| IUPAC Name | methyl (E)-3-(2,6-difluorophenyl)prop-2-enoate |
| InChI | InChI=1S/C10H8F2O2/c1-14-10(13)6-5-7-8(11)3-2-4-9(7)12/h2-6H,1H3/b6-5+ |
| InChI Key | AAFOYRAHPCQEFT-AATRIKPKSA-N |
| MDL Number | MFCD22124792 |
| Molecular Formula | C10H8F2O2 |
| Molecular Weight | 198.1661 |
| SMILES | C(=O)(OC)/C=C/C1C(F)=CC=CC=1F |
| Synonyms | (E)-methyl 3-(2,6-difluorophenyl)acrylate,
1253180-94-7,
Methyl (2E)-3-(2,6-difluorophenyl)prop-2-enoate,
methyl 3-(2,6-difluorophenyl)acrylate,
AT-419/43492648,
SCHEMBL2041784,
ZINC94845480,
2,6-Difluorocinnamic acid methyl ester,
FCH1562358,
FCH5760193,
BBV-44222796,
SC-91141,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 198.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.169g/mol |
| Monoisotopic Mass | 198.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number