| CAS Number | 4079-51-0 |
| Catalog Number | AG01ALK5(AGN-PC-00MD7N) |
| Chemical Name | 1-(3-Bromophenyl)-2-hydroxyethan-1-one |
| IUPAC Name | 1-(3-bromophenyl)-2-hydroxyethanone |
| InChI | InChI=1S/C8H7BrO2/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,10H,5H2 |
| InChI Key | RSWPGWSYMLTIOH-UHFFFAOYSA-N |
| MDL Number | MFCD16165854 |
| Molecular Formula | C8H7BrO2 |
| Molecular Weight | 215.0440 |
| SMILES | O=C(C1=CC=CC(Br)=C1)CO |
| Synonyms | 4079-51-0,
1-(3-bromophenyl)-2-hydroxyethan-1-one,
alpha-Hydroxy-3'-bromoacetophenone,
SCHEMBL309017,
RSWPGWSYMLTIOH-UHFFFAOYSA-N,
ZINC39619870,
AKOS011306095,
1-(3-bromo-phenyl)-2-hydroxy-ethanone,
SY130965,
MFCD16165854 (95%),
3 inverted exclamation mark -Bromo-2-hydroxyacetophenone,
5-bromo-2-hydroxyacetophenone,
1-(3-bromophenyl)-2-hydroxyethanone,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.046g/mol |
| Monoisotopic Mass | 213.963g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number