| CAS Number | 1375474-19-3 |
| Catalog Number | AG019TPI(AGN-PC-0WP0NJ) |
| Chemical Name | 2-Amino-2-[4-(trifluoromethoxy)phenyl]acetonitrile hydrochloride |
| IUPAC Name | 2-amino-2-[4-(trifluoromethoxy)phenyl]acetonitrile;hydrochloride |
| InChI | InChI=1S/C9H7F3N2O.ClH/c10-9(11,12)15-7-3-1-6(2-4-7)8(14)5-13;/h1-4,8H,14H2;1H |
| InChI Key | ZTAHRDJNGYSHRB-UHFFFAOYSA-N |
| MDL Number | MFCD21602713 |
| Molecular Formula | C9H8ClF3N2O |
| Molecular Weight | 252.6208 |
| SMILES | Cl.NC(C1=CC=C(OC(F)(F)F)C=C1)C#N |
| Synonyms | 2-amino-2-[4-(trifluoromethoxy)phenyl]acetonitrile hydrochloride,
1375474-19-3,
2-amino-2-(4-(trifluoromethoxy)phenyl)acetonitrile hydrochloride,
ZTAHRDJNGYSHRB-UHFFFAOYSA-N,
SCHEMBL15775489,
NE43933,
EN300-98717,
A1-09627,
Z2574360275,
amino(4-(trifluoromethoxy)phenyl)acetonitrile hydrochloride,
Amino-(4-trifluoromethoxy-phenyl)-acetonitrile; hydrochloride,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.621g/mol |
| Monoisotopic Mass | 252.028g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number