| CAS Number | 1214368-79-2 |
| Catalog Number | AG01DPKF(AGN-PC-0WC914) |
| Chemical Name | 4-[2-Methoxy-4-(trifluoromethyl)]phenylpyridine |
| IUPAC Name | 4-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine |
| InChI | InChI=1S/C13H10F3NO/c1-18-12-8-10(13(14,15)16)2-3-11(12)9-4-6-17-7-5-9/h2-8H,1H3 |
| InChI Key | XSASUXJGUVXYPQ-UHFFFAOYSA-N |
| MDL Number | MFCD15477358 |
| Molecular Formula | C13H10F3NO |
| Molecular Weight | 253.2198 |
| SMILES | COC1=C(C=CC(=C1)C(F)(F)F)C2=CC=NC=C2 |
| Synonyms | 1214368-79-2,
4-[2-Methoxy-4-(trifluoromethyl)]phenylpyridine,
4-(2-Methoxy-4-(trifluoromethyl)phenyl)pyridine,
4-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine,
DTXSID40673550,
1165AD,
ZINC47217281,
Z-1220,
C13H10F3NO,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.224g/mol |
| Monoisotopic Mass | 253.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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