| CAS Number | 1214323-04-2 |
| Catalog Number | AG01ABXX |
| Chemical Name | 1-(3-Chloro-2-fluorophenyl)propan-1-one |
| IUPAC Name | 1-(3-chloro-2-fluorophenyl)propan-1-one |
| InChI | InChI=1S/C9H8ClFO/c1-2-8(12)6-4-3-5-7(10)9(6)11/h3-5H,2H2,1H3 |
| InChI Key | IPTXOGKXXWEFIX-UHFFFAOYSA-N |
| MDL Number | MFCD13194251 |
| Molecular Formula | C9H8ClFO |
| Molecular Weight | 186.6106 |
| SMILES | CCC(C1=C(F)C(Cl)=CC=C1)=O |
| Synonyms | 1-(3-chloro-2-fluorophenyl)propan-1-one,
1214323-04-2,
1-Propanone, 1-(3-chloro-2-fluorophenyl)-,
SCHEMBL5158721,
3'-Chloro-2'-fluoropropiophenone,
ZINC82815843,
AKOS014040473,
NE15704,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.024771g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.61g/mol |
| Monoisotopic Mass | 186.024771g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number