| CAS Number | 939812-57-4 |
| Catalog Number | AG01AALF(AGN-PC-0WO49E) |
| Chemical Name | 4-Chloro-2-(cyclopentylamino)benzonitrile |
| IUPAC Name | 4-chloro-2-(cyclopentylamino)benzonitrile |
| InChI | InChI=1S/C12H13ClN2/c13-10-6-5-9(8-14)12(7-10)15-11-3-1-2-4-11/h5-7,11,15H,1-4H2 |
| InChI Key | GDINXPGWWLFMER-UHFFFAOYSA-N |
| MDL Number | MFCD12118942 |
| Molecular Formula | C12H13ClN2 |
| Molecular Weight | 220.6980 |
| SMILES | ClC1=CC(NC2CCCC2)=C(C#N)C=C1 |
| Synonyms | 4-chloro-2-(cyclopentylamino)benzonitrile,
939812-57-4,
Benzonitrile, 4-chloro-2-(cyclopentylamino)-,
AC1Q3IG4,
SCHEMBL495856,
GDINXPGWWLFMER-UHFFFAOYSA-N,
ZINC36954263,
AKOS009869186,
MCULE-6332897741,
NE37745,
EN300-68934,
Z1172209850,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.7g/mol |
| Monoisotopic Mass | 220.077g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number