| CAS Number | 1160574-33-3 |
| Catalog Number | AG01FEJX(AGN-PC-3H4A2B) |
| Chemical Name | 3-BROMO-2,5-DICHLOROBENZONITRILE |
| IUPAC Name | 3-bromo-2,5-dichlorobenzonitrile |
| InChI | InChI=1S/C7H2BrCl2N/c8-6-2-5(9)1-4(3-11)7(6)10/h1-2H |
| InChI Key | PWTKUSJMSXLWML-UHFFFAOYSA-N |
| MDL Number | MFCD11846069 |
| Molecular Formula | C7H2BrCl2N |
| Molecular Weight | 250.9075 |
| SMILES | N#Cc1cc(Cl)cc(c1Cl)Br |
| Synonyms | 3-Bromo-2,5-dichlorobenzonitrile,
1160574-33-3,
ZINC36532910,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.875g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.904g/mol |
| Monoisotopic Mass | 248.875g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number