| CAS Number | 63529-31-7 |
| Catalog Number | AG00JSMU(AGN-PC-0NDTKW) |
| Chemical Name | 2-Bromo-1-(4-fluoro-3-methylphenyl)ethan-1-one |
| IUPAC Name | 2-bromo-1-(4-fluoro-3-methylphenyl)ethanone |
| InChI | InChI=1S/C9H8BrFO/c1-6-4-7(9(12)5-10)2-3-8(6)11/h2-4H,5H2,1H3 |
| InChI Key | PFWAGSRBBGFIOF-UHFFFAOYSA-N |
| MDL Number | MFCD18089176 |
| Molecular Formula | C9H8BrFO |
| Molecular Weight | 231.0616 |
| SMILES | BrCC(=O)C1=CC(=C(C=C1)F)C |
| Synonyms | 63529-31-7,
2-Bromo-1-(4-fluoro-3-methylphenyl)ethanone,
4-fluoro-3-methylphenacyl bromide,
2-bromo-1-(4-fluoro-3-methylphenyl)ethan-1-one,
2-bromo-1-(4-fluoro-3-methyl-phenyl)-ethanone,
SCHEMBL5301761,
PFWAGSRBBGFIOF-UHFFFAOYSA-N,
KS-00001KA7,
MFCD18089176,
ZINC34586642,
AKOS017557980,
AS-0159,
CID10977301,
2-bromo-1-(4-fluoro-3-methyl-phenyl)ethanone,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.064g/mol |
| Monoisotopic Mass | 229.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number