| CAS Number | 1240526-17-3 |
| Catalog Number | AG01A93N |
| Chemical Name | 2-Amino-2-(5-bromo-2-fluorophenyl)acetonitrile hydrochloride |
| IUPAC Name | 2-amino-2-(5-bromo-2-fluorophenyl)acetonitrile;hydrochloride |
| InChI | InChI=1S/C8H6BrFN2.ClH/c9-5-1-2-7(10)6(3-5)8(12)4-11;/h1-3,8H,12H2;1H |
| InChI Key | MFAHZTFSPSNZFW-UHFFFAOYSA-N |
| MDL Number | MFCD16547625 |
| Molecular Formula | C8H7BrClFN2 |
| Molecular Weight | 265.5100 |
| SMILES | Cl.NC(C1=C(F)C=CC(Br)=C1)C#N |
| Synonyms | 2-amino-2-(5-bromo-2-fluorophenyl)acetonitrile hydrochloride,
1240526-17-3,
EN300-64100,
AC1Q3CT0,
NE58864,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.51g/mol |
| Monoisotopic Mass | 263.947g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number