| CAS Number | 34486-07-2 |
| Catalog Number | AG00IZEC(AGN-PC-02Z8PI) |
| Chemical Name | 6-Chloro-4-(trifluoromethyl)pyridin-2-ol |
| IUPAC Name | 6-chloro-4-(trifluoromethyl)-1H-pyridin-2-one |
| InChI | InChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-5(12)11-4/h1-2H,(H,11,12) |
| InChI Key | JZOPIRBGKBVIEO-UHFFFAOYSA-N |
| MDL Number | MFCD13190002 |
| Molecular Formula | C6H3ClF3NO |
| Molecular Weight | 197.5423 |
| SMILES | ClC1(=NC(O)=CC(=C1)C(F)(F)F) |
| Synonyms | 6-Chloro-4-(trifluoromethyl)pyridin-2-ol,
34486-07-2,
1196153-11-3,
SCHEMBL11109288,
CTK8A0764,
KS-00001PZQ,
DTXSID20607398,
0744AD,
MFCD13190002,
SBB092198,
ZINC66323338,
AKOS015850303,
AS-5432,
CK-0722,
SY247166,
TR-071978,
MFCD13190002 (97%),
6-Chloro-2-hydroxy-4-(trifluoromethyl)pyridine,
6-Chloro-4-(trifluoromethyl)pyridin-2(1H)-one,
C6H3ClF3NO,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.541g/mol |
| Monoisotopic Mass | 196.986g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number