| CAS Number | 705250-75-5 |
| Catalog Number | AG00IC2K(AGN-PC-0WG46O) |
| Chemical Name | (2E)-3-(3,5-Difluorophenyl)-2-propenoic acid, methyl ester |
| IUPAC Name | methyl (E)-3-(3,5-difluorophenyl)prop-2-enoate |
| InChI | InChI=1S/C10H8F2O2/c1-14-10(13)3-2-7-4-8(11)6-9(12)5-7/h2-6H,1H3/b3-2+ |
| InChI Key | TUXPCMOFNRGWEC-NSCUHMNNSA-N |
| MDL Number | MFCD22124795 |
| Molecular Formula | C10H8F2O2 |
| Molecular Weight | 198.1661 |
| SMILES | COC(/C=C/C1=CC(F)=CC(F)=C1)=O |
| Synonyms | (E)-Methyl 3-(3,5-difluorophenyl)acrylate,
705250-75-5,
SCHEMBL3584118,
MFCD22124795,
ZINC97756724,
FCH1599904,
FCH5439499,
BBV-55288266,
SC-41613,
CS-0037423,
Methyl (E)-3-(3,5-difluorophenyl)acrylate,
(2E)-3-(3,5-Difluorophenyl)-2-propenoic acid, methyl ester,
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| 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
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Certificate of Analysis
Lot Number