5-Methyl-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole - CAS 374814-09-2
Catalog: |
BB048110 |
Product Name: |
5-Methyl-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole |
CAS: |
374814-09-2 |
Synonyms: |
5-methyl-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole |
IUPAC Name: | 5-methyl-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole |
Description: | 5-Methyl-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole (CAS# 374814-09-2 ) is a useful research chemical. |
Molecular Weight: | 271.19 |
Molecular Formula: | C11H8F3N3O2 |
Canonical SMILES: | CC1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F |
InChI: | InChI=1S/C11H8F3N3O2/c1-7-6-10(11(12,13)14)15-16(7)8-2-4-9(5-3-8)17(18)19/h2-6H,1H3 |
InChI Key: | RRVWOKUJDVDJHD-UHFFFAOYSA-N |
Complexity: | 337 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.05686099 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.05686099 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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