| CAS Number | 49704-71-4 |
| Catalog Number | AG00VSWF(AGN-PC-0S48WC) |
| Chemical Name | 2-Amino-2-(4-chlorophenyl)acetonitrile hydrochloride |
| IUPAC Name | 2-amino-2-(4-chlorophenyl)acetonitrile;hydrochloride |
| InChI | InChI=1S/C8H7ClN2.ClH/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-4,8H,11H2;1H |
| InChI Key | SVGCEBDJOXZLMJ-UHFFFAOYSA-N |
| MDL Number | MFCD12914173 |
| Molecular Formula | C8H8Cl2N2 |
| Molecular Weight | 203.0685 |
| SMILES | Cl.NC(C#N)C1=CC=C(C=C1)Cl |
| Synonyms | 2-amino-2-(4-chlorophenyl)acetonitrile hydrochloride,
49704-71-4,
EN300-60443,
AC1Q3CT7,
SCHEMBL5685291,
CTK7D4481,
SVGCEBDJOXZLMJ-UHFFFAOYSA-N,
AKOS008090889,
MCULE-7320350142,
NE51876,
NS-02099,
amino-(4-chloro-phenyl)-acetonitrile hydrochloride,
Z1262246247,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.066g/mol |
| Monoisotopic Mass | 202.006g/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