3-iodo-7-nitro-1H-indazole

3-iodo-7-nitro-1H-indazole

CAS: 864724-64-1

Formula: C7H4IN3O2

SMILES: [O-][N+](=O)C1=C2NN=C(I)C2=CC=C1

IUPAC: 3-iodo-7-nitro-1H-indazole

InChI: InChI=1S/C7H4IN3O2/c8-7-4-2-1-3-5(11(12)13)6(4)9-10-7/h1-3H,(H,9,10)

Composition: C (29.09%), H (1.39%), I (43.91%), N (14.54%), O (11.07%)

Molar Mass: 289.032

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	288.93482
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CVQKINXVUVZMJY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.46
Topological Polar Surface Area	71.82
Polarizability	21.89
Ring Count	2
Rotatable Bond Count	1

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