3-Methyl-1-(2-methylpropyl)-4-nitro-1H-pyrazole - CAS 1795426-53-7
Catalog: |
BB052427 |
Product Name: |
3-Methyl-1-(2-methylpropyl)-4-nitro-1H-pyrazole |
CAS: |
1795426-53-7 |
Synonyms: |
1-Isobutyl-3-methyl-4-nitro-1H-pyrazole |
IUPAC Name: | 3-methyl-1-(2-methylpropyl)-4-nitropyrazole |
Molecular Weight: | 183.21 |
Molecular Formula: | C8H13N3O2 |
Canonical SMILES: | CC1=NN(C=C1[N+](=O)[O-])CC(C)C |
InChI: | InChI=1S/C8H13N3O2/c1-6(2)4-10-5-8(11(12)13)7(3)9-10/h5-6H,4H2,1-3H3 |
InChI Key: | UDFWBCBRVQSFPM-UHFFFAOYSA-N |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.100776666 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.100776666 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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