| CAS Number | 53688-17-8 |
| Catalog Number | AG00DDKV(AGN-PC-00P1X0) |
| Chemical Name | 2-chloro-1-(2-fluorophenyl)ethan-1-one |
| IUPAC Name | 2-chloro-1-(2-fluorophenyl)ethanone |
| InChI | InChI=1S/C8H6ClFO/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2 |
| InChI Key | XIRBMNOJVJCHTR-UHFFFAOYSA-N |
| MDL Number | MFCD13194396 |
| Molecular Formula | C8H6ClFO |
| Molecular Weight | 172.5840 |
| SMILES | FC1=CC=CC=C1C(CCl)=O |
| Synonyms | 2-Fluorophenacyl Chloride,
53688-17-8,
2-Chloro-1-(2-fluorophenyl)ethanone,
o-Fluorophenacyl Chloride,
2-Chloro-1-(2-fluorophenyl)ethan-1-one,
Ethanone, 2-chloro-1-(2-fluorophenyl)- (9CI),
2 -fluorophenacyl chloride,
SCHEMBL1427156,
CTK1G8556,
DTXSID00572196,
XIRBMNOJVJCHTR-UHFFFAOYSA-N,
alpha-Chloro-2'-fluoroacetophenone,
ZINC34542178,
AKOS010996524,
BB 0257174,
FT-0668680,
2-FLUOROPHENYLACETYL CHLORIDE,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.583g/mol |
| Monoisotopic Mass | 172.009g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number