| CAS Number | 159020-87-8 |
| Catalog Number | AG01DVPW |
| Chemical Name | 6-Amino-3-bromo-2-chlorobenzonitrile |
| IUPAC Name | 6-amino-3-bromo-2-chlorobenzonitrile |
| InChI | InChI=1S/C7H4BrClN2/c8-5-1-2-6(11)4(3-10)7(5)9/h1-2H,11H2 |
| InChI Key | VCQUJWHUIPJFDH-UHFFFAOYSA-N |
| MDL Number | MFCD12828071 |
| Molecular Formula | C7H4BrClN2 |
| Molecular Weight | 231.4771 |
| SMILES | NC1=CC=C(C(=C1C#N)Cl)Br |
| Synonyms | 6-amino-3-bromo-2-chlorobenzonitrile,
159020-87-8,
SCHEMBL8390310,
VCQUJWHUIPJFDH-UHFFFAOYSA-N,
2-amino-5-bromo-6-chlorobenzonitrile,
ZINC169797929,
FCH1377106,
OR400464,
Benzonitrile, 6-amino-3-bromo-2-chloro-,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.925g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.477g/mol |
| Monoisotopic Mass | 229.925g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number