methyl 3-iodo-1H-indazole-5-carboxylate

methyl 3-iodo-1H-indazole-5-carboxylate

CAS: 885271-25-0

Formula: C9H7IN2O2

SMILES: COC(=O)C1=CC=C2NN=C(I)C2=C1

IUPAC: methyl 3-iodo-1H-indazole-5-carboxylate

InChI: InChI=1S/C9H7IN2O2/c1-14-9(13)5-2-3-7-6(4-5)8(10)12-11-7/h2-4H,1H3,(H,11,12)

Composition: C (35.79%), H (2.34%), I (42.01%), N (9.27%), O (10.59%)

Molar Mass: 302.071

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	301.95522
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	JQHYEHRKSDHNFC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.17
Topological Polar Surface Area	54.98
Polarizability	24.33
Ring Count	2
Rotatable Bond Count	2

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