| CAS Number | 1251923-68-8 |
| Catalog Number | AG01AA90 |
| Chemical Name | 2-Amino-2-(2-fluorophenyl)acetonitrile hydrochloride |
| IUPAC Name | 2-amino-2-(2-fluorophenyl)acetonitrile;hydrochloride |
| InChI | InChI=1S/C8H7FN2.ClH/c9-7-4-2-1-3-6(7)8(11)5-10;/h1-4,8H,11H2;1H |
| InChI Key | JANBMPCSCHVQOI-UHFFFAOYSA-N |
| MDL Number | MFCD16990669 |
| Molecular Formula | C8H8ClFN2 |
| Molecular Weight | 186.6139 |
| SMILES | Cl.NC(C1=C(F)C=CC=C1)C#N |
| Synonyms | 2-amino-2-(2-fluorophenyl)acetonitrile hydrochloride,
1251923-68-8,
AC1Q3CT1,
AKOS008090940,
MCULE-7907341193,
NE44077,
EN300-67500,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.614g/mol |
| Monoisotopic Mass | 186.036g/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