| CAS Number | 24889-93-8 |
| Catalog Number | AG01AHMK(AGN-PC-0NKH1R) |
| Chemical Name | 2-[(3-Chlorophenyl)amino]acetonitrile |
| IUPAC Name | 2-(3-chloroanilino)acetonitrile |
| InChI | InChI=1S/C8H7ClN2/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6,11H,5H2 |
| InChI Key | GERRKLUTCVHRFL-UHFFFAOYSA-N |
| MDL Number | MFCD11152884 |
| Molecular Formula | C8H7ClN2 |
| Molecular Weight | 166.6076 |
| SMILES | ClC1=CC(NCC#N)=CC=C1 |
| Synonyms | 2-[(3-chlorophenyl)amino]acetonitrile,
24889-93-8,
Acetonitrile, 2-[(3-chlorophenyl)amino]-,
SCHEMBL9090372,
ZINC20050987,
AKOS000253762,
NE52148,
EN300-75189,
[(3-Chlorophenyl)amino]acetonitrile,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.608g/mol |
| Monoisotopic Mass | 166.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number