1-Cyclopentyl-4-nitro-1H-pyrazole - CAS 1245772-56-8
Catalog: |
BB053226 |
Product Name: |
1-Cyclopentyl-4-nitro-1H-pyrazole |
CAS: |
1245772-56-8 |
Synonyms: |
1-Cyclopentyl-4-nitro-1H-pyrazole |
IUPAC Name: | 1-cyclopentyl-4-nitropyrazole |
Molecular Weight: | 181.19 |
Molecular Formula: | C8H11N3O2 |
Canonical SMILES: | C1CCC(C1)N2C=C(C=N2)[N+](=O)[O-] |
InChI: | InChI=1S/C8H11N3O2/c12-11(13)8-5-9-10(6-8)7-3-1-2-4-7/h5-7H,1-4H2 |
InChI Key: | QTVZPYUDEBKCFJ-UHFFFAOYSA-N |
Purity: | 95% |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.085126602 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.085126602 |
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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Related Functional Groups
Cyclopentane
Nitrogen Compounds
Pyrazoles
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