| CAS Number | 1203952-88-8 |
| Catalog Number | AG0096ZR(AGN-PC-0WAZMY) |
| Chemical Name | methyl 3-(trifluoromethyl)pyridine-4-carboxylate |
| IUPAC Name | methyl 3-(trifluoromethyl)pyridine-4-carboxylate |
| InChI | InChI=1S/C8H6F3NO2/c1-14-7(13)5-2-3-12-4-6(5)8(9,10)11/h2-4H,1H3 |
| InChI Key | GTTUAWQPZYOVBF-UHFFFAOYSA-N |
| MDL Number | MFCD14698095 |
| Molecular Formula | C8H6F3NO2 |
| Molecular Weight | 205.1339 |
| SMILES | FC(C1=C(C(=O)OC)C=CN=C1)(F)F |
| Synonyms | methyl 3-(trifluoromethyl)pyridine-4-carboxylate,
1203952-88-8,
methyl 3-(trifluoromethyl)isonicotinate,
SCHEMBL1417630,
CTK6J0916,
DTXSID50673228,
GTTUAWQPZYOVBF-UHFFFAOYSA-N,
0942AD,
MFCD14698095,
ZINC47202480,
AKOS005765978,
methyltrifluoromethylpyridinecarboxylate,
GE-0233,
MCULE-8656301419,
RP11936,
SB13752,
KS-00001Q57,
TR-071426,
methyl 3-(trifluoromethyl)-4-pyridinecarboxylate,
J-522104,
C8H6F3NO2,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.136g/mol |
| Monoisotopic Mass | 205.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number