| CAS Number | 944317-53-7 |
| Catalog Number | AG00II5N(AGN-PC-0W4154) |
| Chemical Name | Pyridine,4-methyl-5-nitro-2-(trifluoromethyl)- |
| IUPAC Name | 4-methyl-5-nitro-2-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C7H5F3N2O2/c1-4-2-6(7(8,9)10)11-3-5(4)12(13)14/h2-3H,1H3 |
| InChI Key | YAVOZQHDJFJNPM-UHFFFAOYSA-N |
| MDL Number | MFCD11977456 |
| Molecular Formula | C7H5F3N2O2 |
| Molecular Weight | 206.1220 |
| SMILES | O=[N+](C1=CN=C(C(F)(F)F)C=C1C)[O-] |
| Synonyms | 944317-53-7,
4-methyl-5-nitro-2-(trifluoromethyl)pyridine,
Pyridine, 4-methyl-5-nitro-2-(trifluoromethyl)-,
2-(TRIFLUOROMETHYL)-4-METHYL-5-NITROPYRIDINE,
4-Methyl-5-nitro-2-trifluoromethyl-pyridine,
PYRIDINE,4-METHYL-5-NITRO-2-(TRIFLUOROMETHYL)-,
SCHEMBL1506607,
CTK5H6569,
DTXSID60696822,
YAVOZQHDJFJNPM-UHFFFAOYSA-N,
MFCD11977456,
ZINC71624912,
AKOS027339293,
FCH1408912,
AX8270624,
L-2172,
A844949,
2-(trifluoromethyl)-4-methyl-5-nitropyridine, 95% - 1G 1g,
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| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.124g/mol |
| Monoisotopic Mass | 206.03g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 58.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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