| CAS Number | 1184172-41-5 |
| Catalog Number | AG019Z7E(AGN-PC-0WCSPJ) |
| Chemical Name | 3-Methoxy-2-(trifluoromethyl)pyridine |
| IUPAC Name | 3-methoxy-2-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C7H6F3NO/c1-12-5-3-2-4-11-6(5)7(8,9)10/h2-4H,1H3 |
| InChI Key | SKBPGFAXGVJYCL-UHFFFAOYSA-N |
| MDL Number | MFCD13185702 |
| Molecular Formula | C7H6F3NO |
| Molecular Weight | 177.1238 |
| SMILES | COC1=C(C(F)(F)F)N=CC=C1 |
| Synonyms | 3-methoxy-2-(trifluoromethyl)pyridine,
1184172-41-5,
SCHEMBL4372362,
ZINC78210619,
NE54738,
Pyridine, 3-methoxy-2-(trifluoromethyl)-,
Z1436472678,
N/A,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.126g/mol |
| Monoisotopic Mass | 177.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number