| CAS Number | 21900-33-4 |
| Catalog Number | AG00BDZY(AGN-PC-0KKLHL) |
| Chemical Name | 3-Bromo-4-methylbenzoyl chloride |
| IUPAC Name | 3-bromo-4-methylbenzoyl chloride |
| InChI | InChI=1S/C8H6BrClO/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3 |
| InChI Key | LQBIFQKBCLOXHC-UHFFFAOYSA-N |
| MDL Number | MFCD03424708 |
| Molecular Formula | C8H6BrClO |
| Molecular Weight | 233.4896 |
| SMILES | BrC=1C=C(C(=O)Cl)C=CC1C |
| Synonyms | 3-bromo-4-methylbenzoyl chloride,
3-bromo-4-methyl benzoyl chloride,
21900-33-4,
3-Bromo-4-methyl-benzoyl chloride,
3-bromo-4-methylbenzoic acid chloride,
AC1MBUZH,
SCHEMBL1708334,
3-bromo4-methylbenzoyl chloride,
CTK6G5400,
LQBIFQKBCLOXHC-UHFFFAOYSA-N,
ZINC2574143,
Benzoyl chloride, 3-bromo-4-methyl-,
AKOS017550175,
SC-42500,
ZINC02574143,
CID2757057,
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| 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
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Certificate of Analysis
Lot Number