| CAS Number | 1499840-13-9 |
| Catalog Number | AG01BVU6 |
| Chemical Name | 3-bromo-2-fluoro-5-methylbenzoyl chloride |
| IUPAC Name | 3-bromo-2-fluoro-5-methylbenzoyl chloride |
| InChI | InChI=1S/C8H5BrClFO/c1-4-2-5(8(10)12)7(11)6(9)3-4/h2-3H,1H3 |
| InChI Key | HHWSLVGBHIQKAW-UHFFFAOYSA-N |
| MDL Number | MFCD30486612 |
| Molecular Formula | C8H5BrClFO |
| Molecular Weight | 251.4801 |
| SMILES | BrC=1C(=C(C(=O)Cl)C=C(C1)C)F |
| Synonyms | 3-bromo-2-fluoro-5-methylbenzoyl chloride,
1499840-13-9,
ZINC75914885,
AKOS023125798,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.479g/mol |
| Monoisotopic Mass | 249.92g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number