| CAS Number | 95711-04-9 |
| Catalog Number | AG00IXY9(AGN-PC-0K5PQO) |
| Chemical Name | 3-Chloro-2-phenoxy-5-(trifluoromethyl)pyridine |
| IUPAC Name | 3-chloro-2-phenoxy-5-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C12H7ClF3NO/c13-10-6-8(12(14,15)16)7-17-11(10)18-9-4-2-1-3-5-9/h1-7H |
| InChI Key | SOHOIHROGVVRAL-UHFFFAOYSA-N |
| MDL Number | MFCD00244669 |
| Molecular Formula | C12H7ClF3NO |
| Molecular Weight | 273.6383 |
| SMILES | ClC2(=C(OC1(=CC=CC=C1))N=CC(=C2)C(F)(F)F) |
| Synonyms | 3-chloro-2-phenoxy-5-(trifluoromethyl)pyridine,
95711-04-9,
AC1LSZY5,
Bionet2_000712,
SCHEMBL10440879,
KS-00001VGE,
SOHOIHROGVVRAL-UHFFFAOYSA-N,
HMS1366A08,
ZINC1385870,
ZX-RL000883,
MFCD00244669,
AKOS005088013,
PC300538,
2-phenoxy-3-chloro-5-trifluoromethyl pyridine,
3J-048,
ZINC01385870,
CID1474127,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.639g/mol |
| Monoisotopic Mass | 273.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number