| CAS Number | 1935427-48-7 |
| Catalog Number | AG01FHD0(AGN-PC-3H4AP3) |
| Chemical Name | 2-Amino-4-bromo-5-fluorobenzonitrile |
| IUPAC Name | 2-amino-4-bromo-5-fluorobenzonitrile |
| InChI | InChI=1S/C7H4BrFN2/c8-5-2-7(11)4(3-10)1-6(5)9/h1-2H,11H2 |
| InChI Key | AMRIILMGUNADTD-UHFFFAOYSA-N |
| MDL Number | MFCD29049266 |
| Molecular Formula | C7H4BrFN2 |
| Molecular Weight | 215.0225 |
| SMILES | NC1=C(C#N)C=C(C(=C1)Br)F |
| Synonyms | 2-AMINO-4-BROMO-5-FLUOROBENZONITRILE,
1935427-48-7,
MFCD29049266,
ZINC258329331,
FCH5224387,
PC501993,
PS-11740,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.025g/mol |
| Monoisotopic Mass | 213.954g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number