1-Cyclopentyl-3-methyl-4-nitro-1H-pyrazole - CAS 1171752-78-5
Catalog: |
BB048127 |
Product Name: |
1-Cyclopentyl-3-methyl-4-nitro-1H-pyrazole |
CAS: |
1171752-78-5 |
Synonyms: |
1-cyclopentyl-3-methyl-4-nitro-1H-pyrazole |
IUPAC Name: | 1-cyclopentyl-3-methyl-4-nitropyrazole |
Description: | 1-Cyclopentyl-3-methyl-4-nitro-1H-pyrazole (CAS# 1171752-78-5 ) is a useful research chemical. |
Molecular Weight: | 195.22 |
Molecular Formula: | C9H13N3O2 |
Canonical SMILES: | CC1=NN(C=C1[N+](=O)[O-])C2CCCC2 |
InChI: | InChI=1S/C9H13N3O2/c1-7-9(12(13)14)6-11(10-7)8-4-2-3-5-8/h6,8H,2-5H2,1H3 |
InChI Key: | KIGBAMUJRAMXSD-UHFFFAOYSA-N |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.100776666 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.100776666 |
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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