| CAS Number | 865449-63-4 |
| Catalog Number | AG00IE4B(AGN-PC-09RNVQ) |
| Chemical Name | Ethanone, 1-(4-bromo-5-fluoro-2-hydroxyphenyl)- |
| IUPAC Name | 1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone |
| InChI | InChI=1S/C8H6BrFO2/c1-4(11)5-2-7(10)6(9)3-8(5)12/h2-3,12H,1H3 |
| InChI Key | GHCKGFMOZIFIDT-UHFFFAOYSA-N |
| MDL Number | MFCD11847403 |
| Molecular Formula | C8H6BrFO2 |
| Molecular Weight | 233.0344 |
| SMILES | CC(=O)c1cc(F)c(cc1O)Br |
| Synonyms | 1-(4-BROMO-5-FLUORO-2-HYDROXYPHENYL)ETHANONE,
865449-63-4,
Ethanone, 1-(4-bromo-5-fluoro-2-hydroxyphenyl)-,
SCHEMBL2012030,
GHCKGFMOZIFIDT-UHFFFAOYSA-N,
KS-00000TJ8,
MFCD11847403,
ZINC117773796,
AK252572,
DS-10691,
SC-32749,
4'-Bromo-5'-fluoro-2'-hydroxyacetophenone,
CS-0060847,
1-(4-Bromo-5-fluoro-2-hydroxy-phenyl)-ethanone,
1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethan-1-one,
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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 | 231.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.036g/mol |
| Monoisotopic Mass | 231.954g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number