| CAS Number | 121794-40-9 |
| Catalog Number | AG01FELP(AGN-PC-000JKD) |
| Chemical Name | 2-Bromo-3-methylbenzoyl chloride |
| IUPAC Name | 2-bromo-3-methylbenzoyl chloride |
| InChI | InChI=1S/C8H6BrClO/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3 |
| InChI Key | WBNNEUYMRSYCRP-UHFFFAOYSA-N |
| MDL Number | MFCD18379822 |
| Molecular Formula | C8H6BrClO |
| Molecular Weight | 233.4896 |
| SMILES | ClC(=O)c1cccc(c1Br)C |
| Synonyms | 2-Bromo-3-methylbenzoyl chloride,
121794-40-9,
SCHEMBL2229478,
WBNNEUYMRSYCRP-UHFFFAOYSA-N,
Benzoylchloride,2-bromo-3-methyl-,
ZINC34241474,
2-Bromo-3-methylbenzoic acid chloride,
2-bromo-3-methylbenzyl acid chloride,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.489g/mol |
| Monoisotopic Mass | 231.929g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number