| CAS Number | 1349717-20-9 |
| Catalog Number | AG00JRTD(AGN-PC-09OU1T) |
| Chemical Name | 4-BROMO-2,5-DICHLOROBENZONITRILE |
| IUPAC Name | 4-bromo-2,5-dichlorobenzonitrile |
| InChI | InChI=1S/C7H2BrCl2N/c8-5-2-6(9)4(3-11)1-7(5)10/h1-2H |
| InChI Key | KUWYYTMBHHOQHS-UHFFFAOYSA-N |
| MDL Number | MFCD18917152 |
| Molecular Formula | C7H2BrCl2N |
| Molecular Weight | 250.9075 |
| SMILES | c1(c(cc(c(c1)Cl)Br)Cl)C#N |
| Synonyms | 4-Bromo-2,5-dichlorobenzonitrile,
1349717-20-9,
MFCD18917152,
ZINC67802597,
AKOS017344430,
AS-39234,
|
| 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