| CAS Number | 695186-78-8 |
| Catalog Number | AG01EX01(AGN-PC-3H487D) |
| Chemical Name | (2E)-3-(2,4-difluorophenyl)prop-2-enoyl chloride |
| IUPAC Name | (E)-3-(2,4-difluorophenyl)prop-2-enoyl chloride |
| InChI | InChI=1S/C9H5ClF2O/c10-9(13)4-2-6-1-3-7(11)5-8(6)12/h1-5H/b4-2+ |
| InChI Key | YNLKPSKPONQGFY-DUXPYHPUSA-N |
| MDL Number | MFCD20485904 |
| Molecular Formula | C9H5ClF2O |
| Molecular Weight | 202.5852 |
| SMILES | C(/C1C=CC(=CC=1F)F)=CC(Cl)=O |
| Synonyms | 695186-78-8,
(2E)-3-(2,4-difluorophenyl)prop-2-enoyl chloride,
SCHEMBL6822226,
YNLKPSKPONQGFY-DUXPYHPUSA-N,
(E)-2,4-difluorocinnamoyl chloride,
CID11159992,
(2e)-3-(2,4-difluorophenyl)-2-propenoyl chloride,
(E)-3-(2,4-difluorophenyl)prop-2-enoyl Chloride,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 202g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.585g/mol |
| Monoisotopic Mass | 202g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number