| CAS Number | 1567637-23-3 |
| Catalog Number | AG01C06U |
| Chemical Name | 3-chloro-3-(2-fluorophenyl)-2-methylprop-2-enal |
| IUPAC Name | 3-chloro-3-(2-fluorophenyl)-2-methylprop-2-enal |
| InChI | InChI=1S/C10H8ClFO/c1-7(6-13)10(11)8-4-2-3-5-9(8)12/h2-6H,1H3 |
| InChI Key | CRDZLARZUZLUGZ-UHFFFAOYSA-N |
| MDL Number | MFCD26079253 |
| Molecular Formula | C10H8ClFO |
| Molecular Weight | 198.6213 |
| SMILES | CC(C=O)=C(C1=C(F)C=CC=C1)Cl |
| Synonyms | 3-chloro-3-(2-fluorophenyl)-2-methylprop-2-enal,
1567637-23-3,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.621g/mol |
| Monoisotopic Mass | 198.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number