| CAS Number | 116779-74-9 |
| Catalog Number | AG00PJ9W(AGN-PC-038XBC) |
| Chemical Name | 2-Bromo-4-chlorobenzoyl chloride |
| IUPAC Name | 2-bromo-4-chlorobenzoyl chloride |
| InChI | InChI=1S/C7H3BrCl2O/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H |
| InChI Key | MZMZIXOCJASTPY-UHFFFAOYSA-N |
| MDL Number | MFCD12024977 |
| Molecular Formula | C7H3BrCl2O |
| Molecular Weight | 253.9081 |
| SMILES | BrC1=C(C(=O)Cl)C=CC(=C1)Cl |
| Synonyms | 2-Bromo-4-chlorobenzoyl chloride,
116779-74-9,
SCHEMBL1164132,
DTXSID20612225,
MZMZIXOCJASTPY-UHFFFAOYSA-N,
ZINC67800112,
Benzoyl chloride, 2-bromo-4-chloro-,
|
| 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 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number