1-Isopropyl-3-methyl-4-nitro-1H-pyrazole - CAS 1172475-45-4
Catalog: |
BB048077 |
Product Name: |
1-Isopropyl-3-methyl-4-nitro-1H-pyrazole |
CAS: |
1172475-45-4 |
Synonyms: |
3-methyl-4-nitro-1-(propan-2-yl)-1H-pyrazole; 3-methyl-1-(methylethyl)-4-nitropyrazole; 1-isopropyl-3-methyl-4-nitropyrazole |
IUPAC Name: | 3-methyl-4-nitro-1-propan-2-ylpyrazole |
Description: | 1-Isopropyl-3-methyl-4-nitro-1H-pyrazole (CAS# 1172475-45-4 ) is a useful research chemical. |
Molecular Weight: | 169.18 |
Molecular Formula: | C7H11N3O2 |
Canonical SMILES: | CC1=NN(C=C1[N+](=O)[O-])C(C)C |
InChI: | InChI=1S/C7H11N3O2/c1-5(2)9-4-7(10(11)12)6(3)8-9/h4-5H,1-3H3 |
InChI Key: | DNAWRQUADBGXSR-UHFFFAOYSA-N |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.085126602 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.085126602 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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