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3-cyclohexyl-4-nitro-1H-pyrazole

3-cyclohexyl-4-nitro-1H-pyrazole

CAS: 1247187-59-2

Formula: C9H13N3O2

SMILES: [O-][N+](=O)C1=CNN=C1C1CCCCC1

IUPAC: 3-cyclohexyl-4-nitro-1H-pyrazole

InChI: InChI=1S/C9H13N3O2/c13-12(14)8-6-10-11-9(8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,10,11)

Composition: C (55.37%), H (6.71%), N (21.52%), O (16.39%)

Molar Mass: 195.222

Atom Count: 27

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 195.100776671
Formal Charge 0
FSP3 0.67
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey SJYQTFKYTJTYOU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.86
Topological Polar Surface Area 71.82
Polarizability 19.3
Ring Count 2
Rotatable Bond Count 2

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97% <5 Days 1247187-59-2 $126.10-$649.42$126.10$378.30$649.42
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