| CAS Number | 318469-19-1 |
| Catalog Number | AG00IYCL(AGN-PC-0WAUEX) |
| Chemical Name | 3-chloro-2-(1H-pyrazol-1-yl)-5-(trifluoromethyl)pyridine |
| IUPAC Name | 3-chloro-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C9H5ClF3N3/c10-7-4-6(9(11,12)13)5-14-8(7)16-3-1-2-15-16/h1-5H |
| InChI Key | XNEXBWDTYFOAHE-UHFFFAOYSA-N |
| MDL Number | MFCD00215317 |
| Molecular Formula | C9H5ClF3N3 |
| Molecular Weight | 247.6043 |
| SMILES | FC(C1=CC(Cl)=C(N2N=CC=C2)N=C1)(F)F |
| Synonyms | 3-chloro-2-(1H-pyrazol-1-yl)-5-(trifluoromethyl)pyridine,
318469-19-1,
AC1LRWQV,
3-chloro-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine,
KS-00001XFA,
ZINC1391409,
MFCD00215317,
AKOS005092591,
MCULE-2950264258,
NE22644,
EN300-74686,
5G-027,
Z221520108,
CID1478737,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.605g/mol |
| Monoisotopic Mass | 247.012g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number