| CAS Number | 21900-48-1 |
| Catalog Number | AG00C24V(AGN-PC-0QYF2S) |
| Chemical Name | 3-Bromo-2-methylbenzoyl chloride |
| IUPAC Name | 3-bromo-2-methylbenzoyl chloride |
| InChI | InChI=1S/C8H6BrClO/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3 |
| InChI Key | JUNGKBUTMUFRGV-UHFFFAOYSA-N |
| MDL Number | MFCD08543466 |
| Molecular Formula | C8H6BrClO |
| Molecular Weight | 233.4896 |
| SMILES | O=C(C1C(C)=C(Br)C=CC=1)Cl |
| Synonyms | 3-Bromo-2-methylbenzoyl chloride,
21900-48-1,
3-BROMO-2-METHYLBENZOYLCHLORIDE,
3-BROMO-2-METHYL BENZOYL CHLORIDE,
Benzoyl chloride,3-bromo-2-methyl-,
SCHEMBL3710686,
CTK4E7928,
DTXSID90598426,
JUNGKBUTMUFRGV-UHFFFAOYSA-N,
3-bromo-2-methyl-benzoyl chloride,
MFCD08543466,
ZINC16125053,
Benzoyl chloride, 3-bromo-2-methyl-,
3-bromo-2-methylbenzoic acid chloride,
AKOS013152077,
PS-10787,
SC-98384,
K-6215,
ACN-046848,
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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