| CAS Number | 1160574-40-2 |
| Catalog Number | AG01AC2G |
| Chemical Name | 4-Bromo-3,5-dichlorobenzonitrile |
| IUPAC Name | 4-bromo-3,5-dichlorobenzonitrile |
| InChI | InChI=1S/C7H2BrCl2N/c8-7-5(9)1-4(3-11)2-6(7)10/h1-2H |
| InChI Key | YNSCSZAITFCOOW-UHFFFAOYSA-N |
| MDL Number | MFCD11845898 |
| Molecular Formula | C7H2BrCl2N |
| Molecular Weight | 250.9075 |
| SMILES | BrC1=C(C=C(C#N)C=C1Cl)Cl |
| Synonyms | 4-Bromo-3,5-dichlorobenzonitrile,
1160574-40-2,
SCHEMBL9515292,
ZINC36532735,
AKOS005061417,
FCH1406057,
NE22768,
BBV-40282164,
AX8254350,
EN300-137374,
|
| Complexity | 176 |
| 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