| CAS Number | 1000339-91-2 |
| Catalog Number | AG0096TC |
| Chemical Name | 2-Bromo-3-fluorobenzoyl chloride |
| IUPAC Name | 2-bromo-3-fluorobenzoyl chloride |
| InChI | InChI=1S/C7H3BrClFO/c8-6-4(7(9)11)2-1-3-5(6)10/h1-3H |
| InChI Key | BIDXHLMXMWMYJC-UHFFFAOYSA-N |
| MDL Number | MFCD09864686 |
| Molecular Formula | C7H3BrClFO |
| Molecular Weight | 237.4535 |
| SMILES | C1C(C(Cl)=O)=C(Br)C(F)=CC=1 |
| Synonyms | 2-Bromo-3-fluorobenzoyl chloride,
1000339-91-2,
SCHEMBL17938254,
CTK6G5431,
DTXSID80617938,
MFCD09864686,
SBB098835,
ZINC16159636,
Benzoyl chloride, 2-bromo-3-fluoro-,
AKOS017554054,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.904g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.452g/mol |
| Monoisotopic Mass | 235.904g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number