| CAS Number | 905454-90-2 |
| Catalog Number | AG003A1X(AGN-PC-0WNSSJ) |
| Chemical Name | 1-(5-Bromo-4-fluoro-2-hydroxyphenyl)ethanone |
| IUPAC Name | 1-(5-bromo-4-fluoro-2-hydroxyphenyl)ethanone |
| InChI | InChI=1S/C8H6BrFO2/c1-4(11)5-2-6(9)7(10)3-8(5)12/h2-3,12H,1H3 |
| InChI Key | LXEWOXSXBATWKM-UHFFFAOYSA-N |
| MDL Number | MFCD09743924 |
| Molecular Formula | C8H6BrFO2 |
| Molecular Weight | 233.0344 |
| SMILES | BrC=1C(=CC(=C(C1)C(C)=O)O)F |
| Synonyms | 905454-90-2,
1-(5-bromo-4-fluoro-2-hydroxyphenyl)ethan-1-one,
1-(5-bromo-4-fluoro-2-hydroxyphenyl)ethanone,
SCHEMBL1228531,
LXEWOXSXBATWKM-UHFFFAOYSA-N,
MFCD09743924,
ZINC82164323,
AKOS023646610,
MCULE-5869946109,
NE43749,
AS-37322,
5'-Bromo-4'-fluoro-2'-hydroxyacetophenone,
AK00719088,
CS-0059739,
Ethanone, 1-(5-bromo-4-fluoro-2-hydroxyphenyl)-,
Z1483956937,
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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