| CAS Number | 1235439-69-6 |
| Catalog Number | AG01A8LX |
| Chemical Name | 2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile hydrochloride |
| IUPAC Name | 2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile;hydrochloride |
| InChI | InChI=1S/C8H6ClFN2.ClH/c9-5-2-1-3-6(10)8(5)7(12)4-11;/h1-3,7H,12H2;1H |
| InChI Key | GUDBYZKFRKEGGE-UHFFFAOYSA-N |
| MDL Number | MFCD16040111 |
| Molecular Formula | C8H7Cl2FN2 |
| Molecular Weight | 221.0590 |
| SMILES | Cl.NC(C1=C(Cl)C=CC=C1F)C#N |
| Synonyms | 2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile hydrochloride,
1235439-69-6,
EN300-61959,
AC1Q3CSZ,
AKOS008090925,
MCULE-5280502299,
NE56974,
Z1262254392,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.056g/mol |
| Monoisotopic Mass | 219.997g/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