| CAS Number | 21900-45-8 |
| Catalog Number | AG01E75B(AGN-PC-0NKISA) |
| Chemical Name | 4-Bromo-2-methylbenzoyl chloride |
| IUPAC Name | 4-bromo-2-methylbenzoyl chloride |
| InChI | InChI=1S/C8H6BrClO/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3 |
| InChI Key | JFRRHWPXPJGZLY-UHFFFAOYSA-N |
| MDL Number | MFCD12025010 |
| Molecular Formula | C8H6BrClO |
| Molecular Weight | 233.4896 |
| SMILES | BrC1=CC(=C(C(=O)Cl)C=C1)C |
| Synonyms | 4-Bromo-2-methylbenzoyl chloride,
21900-45-8,
Benzoyl chloride, 4-bromo-2-methyl-,
SCHEMBL321933,
CTK0J7026,
2-methyl-4-bromobenzoyl chloride,
DTXSID60511349,
JFRRHWPXPJGZLY-UHFFFAOYSA-N,
4-Bromo-2-methyl-benzoyl chloride,
MFCD12025010,
ZINC36533250,
FS-4759,
4-bromo-2-methyl-benzoic acid chloride,
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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