methyl 4-nitro-2H-indazole-6-carboxylate

methyl 4-nitro-2H-indazole-6-carboxylate

CAS: 72922-61-3

Formula: C9H7N3O4

SMILES: COC(=O)C1=CC2=NNC=C2C(=C1)[N+]([O-])=O

IUPAC: methyl 4-nitro-2H-indazole-6-carboxylate

InChI: InChI=1S/C9H7N3O4/c1-16-9(13)5-2-7-6(4-10-11-7)8(3-5)12(14)15/h2-4H,1H3,(H,10,11)

Composition: C (48.88%), H (3.19%), N (19.00%), O (28.93%)

Molar Mass: 221.172

Atom Count: 23

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	221.043655717
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OIJKWHSNBQFGHC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.17
Topological Polar Surface Area	98.12
Polarizability	21.01
Ring Count	2
Rotatable Bond Count	3

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