| CAS Number | 163563-13-1 |
| Catalog Number | AG00IRC7(AGN-PC-0WAV5G) |
| Chemical Name | 2-Chloro-5-(3-(trifluoromethyl)phenyl)nicotinonitrile |
| IUPAC Name | 2-chloro-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile |
| InChI | InChI=1S/C13H6ClF3N2/c14-12-9(6-18)4-10(7-19-12)8-2-1-3-11(5-8)13(15,16)17/h1-5,7H |
| InChI Key | BSYZQLCFAIBBIZ-UHFFFAOYSA-N |
| MDL Number | MFCD00232380 |
| Molecular Formula | C13H6ClF3N2 |
| Molecular Weight | 282.6483 |
| SMILES | ClC2(=NC=C(C1(=CC(=CC=C1)C(F)(F)F))C=C2C#N) |
| Synonyms | 163563-13-1,
2-Chloro-5-(3-(trifluoromethyl)phenyl)nicotinonitrile,
2-chloro-5-[3-(trifluoromethyl)phenyl]nicotinonitrile,
2-chloro-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile,
AC1MX75R,
SCHEMBL12382082,
KS-00001YF1,
ZINC3133664,
AKOS005097225,
6J-549S,
MCULE-9570730028,
CID3761032,
|
| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.65g/mol |
| Monoisotopic Mass | 282.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number