3-iodo-6-methyl-5-nitro-1H-indazole

3-iodo-6-methyl-5-nitro-1H-indazole

CAS: 1000343-55-4

Formula: C8H6IN3O2

SMILES: CC1=C(C=C2C(I)=NNC2=C1)[N+]([O-])=O

IUPAC: 3-iodo-6-methyl-5-nitro-1H-indazole

InChI: InChI=1S/C8H6IN3O2/c1-4-2-6-5(8(9)11-10-6)3-7(4)12(13)14/h2-3H,1H3,(H,10,11)

Composition: C (31.71%), H (2.00%), I (41.87%), N (13.87%), O (10.56%)

Molar Mass: 303.059

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	302.95047
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UMRBFGNXSMPUHB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.51
Topological Polar Surface Area	71.82
Polarizability	23.61
Ring Count	2
Rotatable Bond Count	1

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