| CAS Number | 4138-20-9 |
| Catalog Number | AG00CKJX(AGN-PC-0WO63V) |
| Chemical Name | 6-tert-butyl-2-chloropyridine-3-carbonitrile |
| IUPAC Name | 6-tert-butyl-2-chloropyridine-3-carbonitrile |
| InChI | InChI=1S/C10H11ClN2/c1-10(2,3)8-5-4-7(6-12)9(11)13-8/h4-5H,1-3H3 |
| InChI Key | ZGAPRXSQJGVERK-UHFFFAOYSA-N |
| MDL Number | MFCD15527597 |
| Molecular Formula | C10H11ClN2 |
| Molecular Weight | 194.6607 |
| SMILES | CC(C1=NC(Cl)=C(C#N)C=C1)(C)C |
| Synonyms | 4138-20-9,
6-(tert-butyl)-2-chloronicotinonitrile,
6-tert-butyl-2-chloronicotinonitrile,
6-TERT-BUTYL-2-CHLOROPYRIDINE-3-CARBONITRILE,
SCHEMBL248280,
ZGAPRXSQJGVERK-UHFFFAOYSA-N,
6-(t-Butyl)-2-chloronicotinonitrile,
MFCD15527597,
ZINC43401905,
AKOS005232567,
2-chloro-3-cyano-6-tert-butylpyridine,
FCH4910463,
NE54942,
BBV-33321051,
6-tert-butyl-2-chloro-pyridine-3-carbonitrile,
EN300-137431,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.662g/mol |
| Monoisotopic Mass | 194.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number