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3-methyl-6-nitro-2H-indazole

3-methyl-6-nitro-2H-indazole

CAS: 6494-19-5

Formula: C8H7N3O2

SMILES: CC1=C2C=CC(=CC2=NN1)[N+]([O-])=O

IUPAC: 3-methyl-6-nitro-2H-indazole

InChI: InChI=1S/C8H7N3O2/c1-5-7-3-2-6(11(12)13)4-8(7)10-9-5/h2-4H,1H3,(H,9,10)

Composition: C (54.24%), H (3.98%), N (23.72%), O (18.06%)

Molar Mass: 177.163

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 177.053826477
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey FUNWSYKLFDLUIZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.29
Topological Polar Surface Area 71.82
Polarizability 18.27
Ring Count 2
Rotatable Bond Count 1

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