| CAS Number | 1232407-20-3 |
| Catalog Number | AG01FR5F(AGN-PC-3H5PH4) |
| Chemical Name | 1-(2-Bromo-3-hydroxyphenyl)ethan-1-one |
| IUPAC Name | 1-(2-bromo-3-hydroxyphenyl)ethanone |
| InChI | InChI=1S/C8H7BrO2/c1-5(10)6-3-2-4-7(11)8(6)9/h2-4,11H,1H3 |
| InChI Key | SAPAONJSPUUHTQ-UHFFFAOYSA-N |
| MDL Number | MFCD04038961 |
| Molecular Formula | C8H7BrO2 |
| Molecular Weight | 215.0440 |
| SMILES | CC(C1=CC=CC(O)=C1Br)=O |
| Synonyms | 1-(2-bromo-3-hydroxyphenyl)ethanone,
2-Bromo-3 -hydroxyacetophenone,
PubChem16446,
SCHEMBL2474723,
SAPAONJSPUUHTQ-UHFFFAOYSA-N,
ZINC2525564,
1-(2-Bromo-3-hydroxy phenyl)ethanone,
1232407-20-3,
DA-31496,
N/A,
2491-37-4,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.96294g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.04g/mol |
| Monoisotopic Mass | 213.96294g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number