1,5-Dimethyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole - CAS 1245771-61-2
Catalog: |
BB051716 |
Product Name: |
1,5-Dimethyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole |
CAS: |
1245771-61-2 |
Synonyms: |
1,5-Dimethyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole |
IUPAC Name: | 1,5-dimethyl-4-nitro-3-(trifluoromethyl)pyrazole |
Molecular Weight: | 209.13 |
Molecular Formula: | C6H6F3N3O2 |
Canonical SMILES: | CC1=C(C(=NN1C)C(F)(F)F)[N+](=O)[O-] |
InChI: | InChI=1S/C6H6F3N3O2/c1-3-4(12(13)14)5(6(7,8)9)10-11(3)2/h1-2H3 |
InChI Key: | ICXFUWUMWQEJFG-UHFFFAOYSA-N |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.04121093 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.04121093 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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