| CAS Number | 49704-74-7 |
| Catalog Number | AG01A8RE(AGN-PC-0S49J1) |
| Chemical Name | 2-amino-2-(2-chlorophenyl)acetonitrile hydrochloride |
| IUPAC Name | 2-amino-2-(2-chlorophenyl)acetonitrile;hydrochloride |
| InChI | InChI=1S/C8H7ClN2.ClH/c9-7-4-2-1-3-6(7)8(11)5-10;/h1-4,8H,11H2;1H |
| InChI Key | CMHIVAAOHWQPKO-UHFFFAOYSA-N |
| MDL Number | MFCD16547547 |
| Molecular Formula | C8H8Cl2N2 |
| Molecular Weight | 203.0685 |
| SMILES | Cl.NC(C1=C(Cl)C=CC=C1)C#N |
| Synonyms | 2-amino-2-(2-chlorophenyl)acetonitrile hydrochloride,
49704-74-7,
EN300-62380,
AC1Q3CSX,
MCULE-6992529350,
NE62051,
|
| Complexity | 172 |
| 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