| CAS Number | 409110-31-2 |
| Catalog Number | AG01EVUR(AGN-PC-3H481P) |
| Chemical Name | 2-Bromo-5-methylbenzoyl chloride |
| IUPAC Name | 2-bromo-5-methylbenzoyl chloride |
| InChI | InChI=1S/C8H6BrClO/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3 |
| InChI Key | LUBACRXXWHGOHK-UHFFFAOYSA-N |
| MDL Number | MFCD09833296 |
| Molecular Formula | C8H6BrClO |
| Molecular Weight | 233.4896 |
| SMILES | C1(C=C(C)C=CC=1Br)C(Cl)=O |
| Synonyms | 2-Bromo-5-methylbenzoyl chloride,
409110-31-2,
SCHEMBL3735051,
DTXSID50652351,
LUBACRXXWHGOHK-UHFFFAOYSA-N,
ZINC22010873,
Benzoyl chloride, 2-bromo-5-methyl-,
AKOS017553092,
FT-0741717,
|
| 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