| CAS Number | 105533-69-5 |
| Catalog Number | AG009M7Q(AGN-PC-00NKOR) |
| Chemical Name | 1-(4-Chloro-5-fluoro-2-hydroxyphenyl)ethanone |
| IUPAC Name | 1-(4-chloro-5-fluoro-2-hydroxyphenyl)ethanone |
| InChI | InChI=1S/C8H6ClFO2/c1-4(11)5-2-7(10)6(9)3-8(5)12/h2-3,12H,1H3 |
| InChI Key | NEWKAXPVJZLECS-UHFFFAOYSA-N |
| MDL Number | MFCD09261240 |
| Molecular Formula | C8H6ClFO2 |
| Molecular Weight | 188.5834 |
| SMILES | ClC1(=C(F)C=C(C(=O)C)C(=C1)O) |
| Synonyms | 105533-69-5,
1-(4-CHLORO-5-FLUORO-2-HYDROXY-PHENYL)-ETHANONE,
1-(4-chloro-5-fluoro-2-hydroxyphenyl)ethanone,
1-(4-CHLORO-5-FLUORO-2-HYDROXYPHENYL)ETHAN-1-ONE,
ACMC-1BRPT,
SCHEMBL4158847,
CTK0H2593,
DTXSID70546723,
NEWKAXPVJZLECS-UHFFFAOYSA-N,
ZINC34123366,
AKOS006330861,
MB07188,
KS-0000244Z,
Ethanone, 1-(4-chloro-5-fluoro-2-hydroxyphenyl)-,
CS-4040,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.582g/mol |
| Monoisotopic Mass | 188.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number