1-Isopropyl-5-nitro-1H-pyrazole - CAS 1171472-40-4
Catalog: |
BB048241 |
Product Name: |
1-Isopropyl-5-nitro-1H-pyrazole |
CAS: |
1171472-40-4 |
Synonyms: |
5-nitro-1-(propan-2-yl)-1H-pyrazole; 1-(methylethyl)-5-nitropyrazole |
IUPAC Name: | 5-nitro-1-propan-2-ylpyrazole |
Description: | 1-Isopropyl-5-nitro-1H-pyrazole (CAS# 1171472-40-4 ) is a useful research chemical. |
Molecular Weight: | 155.15 |
Molecular Formula: | C6H9N3O2 |
Canonical SMILES: | CC(C)N1C(=CC=N1)[N+](=O)[O-] |
InChI: | InChI=1S/C6H9N3O2/c1-5(2)8-6(9(10)11)3-4-7-8/h3-5H,1-2H3 |
InChI Key: | UIQWDGQLNXKFLJ-UHFFFAOYSA-N |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.069476538 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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