| CAS Number | 954584-39-5 |
| Catalog Number | AG019RU1 |
| Chemical Name | {6-[2-(trifluoromethyl)phenoxy]pyridin-3-yl}methanamine |
| IUPAC Name | [6-[2-(trifluoromethyl)phenoxy]pyridin-3-yl]methanamine |
| InChI | InChI=1S/C13H11F3N2O/c14-13(15,16)10-3-1-2-4-11(10)19-12-6-5-9(7-17)8-18-12/h1-6,8H,7,17H2 |
| InChI Key | ZJPIHMYRZBVZCV-UHFFFAOYSA-N |
| MDL Number | MFCD09741818 |
| Molecular Formula | C13H11F3N2O |
| Molecular Weight | 268.2344 |
| SMILES | NCC1=CN=C(OC2=C(C(F)(F)F)C=CC=C2)C=C1 |
| Synonyms | {6-[2-(trifluoromethyl)phenoxy]pyridin-3-yl}methanamine,
954584-39-5,
CTK7E5177,
ZINC19258980,
AKOS000150646,
MCULE-7337115398,
NE14386,
EN300-90507,
Z1263529804,
{6-[2-(TRIFLUOROMETHYL)PHENOXY]PYRIDIN-3-YL}METHYLAMINE,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.239g/mol |
| Monoisotopic Mass | 268.082g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number