| CAS Number | 1427363-68-5 |
| Catalog Number | AG00HWKX |
| Chemical Name | 2-Bromo-1-(2-fluoro-3-methoxyphenyl)ethan-1-one |
| IUPAC Name | 2-bromo-1-(2-fluoro-3-methoxyphenyl)ethanone |
| InChI | InChI=1S/C9H8BrFO2/c1-13-8-4-2-3-6(9(8)11)7(12)5-10/h2-4H,5H2,1H3 |
| InChI Key | AMPWSRBBALVFAL-UHFFFAOYSA-N |
| MDL Number | MFCD23711723 |
| Molecular Formula | C9H8BrFO2 |
| Molecular Weight | 247.0610 |
| SMILES | COC1=CC=CC(C(=O)CBr)=C1F |
| Synonyms | 1427363-68-5,
2-Fluoro-3-methoxyphenacyl bromide,
2-bromo-1-(2-fluoro-3-methoxyphenyl)ethanone,
2-Bromo-1-(2-fluoro-3-methoxyphenyl)ethan-1-one,
SCHEMBL5051513,
MFCD23711723,
ZINC95836567,
PS-9941,
2-Fluoro-3-methoxyphenacyl bromide 97%,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.063g/mol |
| Monoisotopic Mass | 245.969g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number