methyl 6-bromo-1H-indazole-3-carboxylate

methyl 6-bromo-1H-indazole-3-carboxylate

CAS: 885278-42-2

Formula: C9H7BrN2O2

SMILES: COC(=O)C1=NNC2=CC(Br)=CC=C12

IUPAC: methyl 6-bromo-1H-indazole-3-carboxylate

InChI: InChI=1S/C9H7BrN2O2/c1-14-9(13)8-6-3-2-5(10)4-7(6)11-12-8/h2-4H,1H3,(H,11,12)

Composition: C (42.38%), H (2.77%), Br (31.33%), N (10.98%), O (12.54%)

Molar Mass: 255.071

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	253.96909
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	FIPMZRPZSZXFGK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.35
Topological Polar Surface Area	54.98
Polarizability	21.9
Ring Count	2
Rotatable Bond Count	2

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