| CAS Number | 404575-30-0 |
| Catalog Number | AG0072TA(AGN-PC-0OA37V) |
| Chemical Name | (2E)-3-(2-Bromo-4-fluorophenyl)-2-propenoic acid, methyl ester |
| IUPAC Name | methyl (E)-3-(2-bromo-4-fluorophenyl)prop-2-enoate |
| InChI | InChI=1S/C10H8BrFO2/c1-14-10(13)5-3-7-2-4-8(12)6-9(7)11/h2-6H,1H3/b5-3+ |
| InChI Key | DKCTXBLIHSYOAP-HWKANZROSA-N |
| MDL Number | MFCD22124745 |
| Molecular Formula | C10H8BrFO2 |
| Molecular Weight | 259.0717 |
| SMILES | COC(=O)/C=C/c1ccc(cc1Br)F |
| Synonyms | 404575-30-0,
3-(2-Bromo-4-fluoro-phenyl)-acrylic acid methyl ester,
(E)-Methyl 3-(2-bromo-4-fluorophenyl)acrylate,
A1-00260,
(2e)-3-(2-bromo-4-fluorophenyl)-2-propenoic acid, methyl ester,
SCHEMBL5385815,
SCHEMBL5385819,
DKCTXBLIHSYOAP-HWKANZROSA-N,
ZINC90512677,
FCH1599894,
FCH4650425,
BBV-57323709,
2-Propenoic acid, 3-(2-bromo-4-fluorophenyl)-, methyl ester, (2E)-,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 257.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.074g/mol |
| Monoisotopic Mass | 257.969g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number