| CAS Number | 21900-32-3 |
| Catalog Number | AG01BD0R(AGN-PC-0WCMD7) |
| Chemical Name | 4-Bromo-3-chlorobenzoyl chloride |
| IUPAC Name | 4-bromo-3-chlorobenzoyl chloride |
| InChI | InChI=1S/C7H3BrCl2O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H |
| InChI Key | OEFADALRZHTONM-UHFFFAOYSA-N |
| MDL Number | MFCD12026284 |
| Molecular Formula | C7H3BrCl2O |
| Molecular Weight | 253.9081 |
| SMILES | ClC(C1=CC(Cl)=C(Br)C=C1)=O |
| Synonyms | 4-Bromo-3-chlorobenzoyl chloride,
21900-32-3,
4-Bromo-3-chloro-benzoyl chloride,
SCHEMBL320780,
OEFADALRZHTONM-UHFFFAOYSA-N,
MFCD12026284,
ZINC36533192,
Benzoyl chloride, 4-bromo-3-chloro-,
AKOS017565923,
NE30863,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.874g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.904g/mol |
| Monoisotopic Mass | 251.874g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
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Certificate of Analysis
Lot Number