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

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

CAS: 885521-80-2

Formula: C8H5BrN2O2

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

IUPAC: 4-bromo-1H-indazole-3-carboxylic acid

InChI: InChI=1S/C8H5BrN2O2/c9-4-2-1-3-5-6(4)7(8(12)13)11-10-5/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	IQVZPISNPRYBGH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.58
Topological Polar Surface Area	65.98
Polarizability	19.86
Ring Count	2
Rotatable Bond Count	1

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