| CAS Number | 1369935-45-4 |
| Catalog Number | AG00A0SH |
| Chemical Name | 4-Chloro-2-(methylamino)benzonitrile |
| IUPAC Name | 4-chloro-2-(methylamino)benzonitrile |
| InChI | InChI=1S/C8H7ClN2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4,11H,1H3 |
| InChI Key | NDVNVOFPMUCYRX-UHFFFAOYSA-N |
| MDL Number | MFCD17292320 |
| Molecular Formula | C8H7ClN2 |
| Molecular Weight | 166.6076 |
| SMILES | CNC1=C(C#N)C=CC(Cl)=C1 |
| Synonyms | 4-chloro-2-(methylamino)benzonitrile,
1369935-45-4,
SCHEMBL12895724,
4-Chloro-2-methylamino-benzonitrile,
ZINC62785154,
AKOS012383567,
NE16208,
|
| Complexity | 172 |
| 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 | 1 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number