| CAS Number | 1060810-66-3 |
| Catalog Number | AG008WT4(AGN-PC-0WB0OM) |
| Chemical Name | 4-Chloro-6-trifluoroMethyl-nicotinic acid |
| IUPAC Name | 4-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H3ClF3NO2/c8-4-1-5(7(9,10)11)12-2-3(4)6(13)14/h1-2H,(H,13,14) |
| InChI Key | CIGVUOHSGVRSIC-UHFFFAOYSA-N |
| MDL Number | MFCD13188812 |
| Molecular Formula | C7H3ClF3NO2 |
| Molecular Weight | 225.5524 |
| SMILES | O=C(O)C1=CN=C(C(F)(F)F)C=C1Cl |
| Synonyms | 1060810-66-3,
4-CHLORO-6-(TRIFLUOROMETHYL)NICOTINIC ACID,
4-CHLORO-6-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXYLIC ACID,
4-Chloro-6-(trifluoromethyl)-pyridine-3-carboxylic acid,
MFCD13188812,
SCHEMBL14921073,
CIGVUOHSGVRSIC-UHFFFAOYSA-N,
KS-00001Q8U,
ZINC94986238,
AKOS024464778,
AB67173,
KK-0707,
QC-10954,
SC-69963,
4-Chloro-6-trifluoroMethyl-nicotinic acid,
C-0537,
4-chloro-6-(trifluoromethyl)pyridine-3-carboxylic,
4-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid, 95% - 1G 1g,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.551g/mol |
| Monoisotopic Mass | 224.98g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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