| CAS Number | 21900-41-4 |
| Catalog Number | AG00BD8M(AGN-PC-03O2SZ) |
| Chemical Name | 5-Bromo-2-methylbenzoyl chloride |
| IUPAC Name | 5-bromo-2-methylbenzoyl chloride |
| InChI | InChI=1S/C8H6BrClO/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3 |
| InChI Key | JOGHNBXDSOKTPG-UHFFFAOYSA-N |
| MDL Number | MFCD12025013 |
| Molecular Formula | C8H6BrClO |
| Molecular Weight | 233.4896 |
| SMILES | C1C(Br)=CC=C(C)C=1C(=O)Cl |
| Synonyms | 5-Bromo-2-methylbenzoyl chloride,
21900-41-4,
SCHEMBL18431,
DTXSID70624873,
JOGHNBXDSOKTPG-UHFFFAOYSA-N,
ZINC40571786,
Benzoyl chloride, 5-bromo-2-methyl-,
AKOS014642081,
AB1010044,
null,
ACN-046847,
|
| 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