1-(Difluoromethyl)-5-methyl-3-nitropyrazole - CAS 1245772-67-1
Catalog: |
BB043012 |
Product Name: |
1-(Difluoromethyl)-5-methyl-3-nitropyrazole |
CAS: |
1245772-67-1 |
Synonyms: |
1-(Difluoromethyl)-5-methyl-3-nitro-1H-pyrazole; SBB073436; STL414888 |
IUPAC Name: | 1-(difluoromethyl)-5-methyl-3-nitropyrazole |
Description: | 1-(Difluoromethyl)-5-methyl-3-nitropyrazole (CAS# 1245772-67-1 ) is a useful research chemical. |
Molecular Weight: | 177.11 |
Molecular Formula: | C5H5F2N3O2 |
Canonical SMILES: | CC1=CC(=NN1C(F)F)[N+](=O)[O-] |
InChI: | InChI=1S/C5H5F2N3O2/c1-3-2-4(10(11)12)8-9(3)5(6)7/h2,5H,1H3 |
InChI Key: | JXXNIUKGXITULT-UHFFFAOYSA-N |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.03498273 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.03498273 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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