| CAS Number | 1198475-29-4 |
| Catalog Number | AG00IV08(AGN-PC-0WB0UF) |
| Chemical Name | 2,3-Dichloro-5-(trifluoromethyl)isonicotinonitrile |
| IUPAC Name | 2,3-dichloro-5-(trifluoromethyl)pyridine-4-carbonitrile |
| InChI | InChI=1S/C7HCl2F3N2/c8-5-3(1-13)4(7(10,11)12)2-14-6(5)9/h2H |
| InChI Key | BWMJZDYFJMJDNE-UHFFFAOYSA-N |
| MDL Number | MFCD14581647 |
| Molecular Formula | C7HCl2F3N2 |
| Molecular Weight | 240.9974 |
| SMILES | ClC1(=NC=C(C(F)(F)F)C(=C1Cl)C#N) |
| Synonyms | 2,3-dichloro-5-(trifluoromethyl)isonicotinonitrile,
1198475-29-4,
2,3-dichloro-5-(trifluoromethyl)pyridine-4-carbonitrile,
CTK7C6450,
KS-00001QA4,
ZX-RL000082,
MFCD14581647,
SBB099357,
ZINC43828098,
AKOS005073537,
dichlorotrifluoromethylisonicotinonitrile,
FCH1384888,
MCULE-9346542361,
MD-0225,
RP13769,
PC200264,
AJ-108983,
TR-070738,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.994g/mol |
| Monoisotopic Mass | 239.947g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number