| CAS Number | 565192-25-8 |
| Catalog Number | AG019HP8 |
| Chemical Name | 1-[3-(Chloromethyl)-5-fluoro-2-hydroxyphenyl]ethan-1-one |
| IUPAC Name | 1-[3-(chloromethyl)-5-fluoro-2-hydroxyphenyl]ethanone |
| InChI | InChI=1S/C9H8ClFO2/c1-5(12)8-3-7(11)2-6(4-10)9(8)13/h2-3,13H,4H2,1H3 |
| InChI Key | AZSSDSLYWMMKHX-UHFFFAOYSA-N |
| MDL Number | MFCD03965268 |
| Molecular Formula | C9H8ClFO2 |
| Molecular Weight | 202.6100 |
| SMILES | CC(C1=C(O)C(CCl)=CC(F)=C1)=O |
| Synonyms | 1-[3-(chloromethyl)-5-fluoro-2-hydroxyphenyl]ethan-1-one,
1-(3-Chloromethyl-5-fluoro-2-hydroxy-phenyl)-ethanone,
565192-25-8,
AC1Q1JHO,
AC1M5V6D,
CTK6H6500,
ZINC3269710,
AKOS022229645,
MCULE-5322007812,
NE21071,
EN300-04270,
SR-01000039642,
SR-01000039642-1,
1-[3-(chloromethyl)-5-fluoro-2-hydroxyphenyl]ethanone,
ZINC03269710,
CID2386031,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.609g/mol |
| Monoisotopic Mass | 202.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number