3-bromo-1H-indazole-6-carboxylic acid

3-bromo-1H-indazole-6-carboxylic acid

CAS: 114086-30-5

Formula: C8H5BrN2O2

SMILES: OC(=O)C1=CC=C2C(Br)=NNC2=C1

IUPAC: 3-bromo-1H-indazole-6-carboxylic acid

InChI: InChI=1S/C8H5BrN2O2/c9-7-5-2-1-4(8(12)13)3-6(5)10-11-7/h1-3H,(H,10,11)(H,12,13)

Composition: C (39.86%), H (2.09%), Br (33.15%), N (11.62%), O (13.27%)

Molar Mass: 241.044

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	239.95344
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PKOJMSAMIIFLSC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.79
Topological Polar Surface Area	65.98
Polarizability	19.91
Ring Count	2
Rotatable Bond Count	1

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