| CAS Number | 149947-09-1 |
| Catalog Number | AG00HXR2(AGN-PC-0250E5) |
| Chemical Name | 2-Propenoic acid, 3-(4-bromo-2-fluorophenyl)-, methyl ester |
| IUPAC Name | methyl (E)-3-(4-bromo-2-fluorophenyl)prop-2-enoate |
| InChI | InChI=1S/C10H8BrFO2/c1-14-10(13)5-3-7-2-4-8(11)6-9(7)12/h2-6H,1H3/b5-3+ |
| InChI Key | XRTIKCDGWXFCNF-HWKANZROSA-N |
| MDL Number | MFCD22381349 |
| Molecular Formula | C10H8BrFO2 |
| Molecular Weight | 259.0717 |
| SMILES | COC(=O)/C=C/c1ccc(cc1F)Br |
| Synonyms | methyl 4-bromo-2-fluorocinnamate,
862651-19-2,
149947-09-1,
SCHEMBL2085217,
ZINC97756697,
AKOS020184950,
FCH3529098,
FCH5536740,
BBV-44777588,
methyl 3-(4-bromo-2-fluorophenyl)acrylate,
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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