3-bromo-1H-indazole-5-carbonitrile

3-bromo-1H-indazole-5-carbonitrile

CAS: 395101-67-4

Formula: C8H4BrN3

SMILES: BrC1=NNC2=CC=C(C=C12)C#N

IUPAC: 3-bromo-1H-indazole-5-carbonitrile

InChI: InChI=1S/C8H4BrN3/c9-8-6-3-5(4-10)1-2-7(6)11-12-8/h1-3H,(H,11,12)

Composition: C (43.27%), H (1.82%), Br (35.99%), N (18.92%)

Molar Mass: 222.045

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	220.95886
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WVHZCDQLDZQYPH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.26
Topological Polar Surface Area	52.47
Polarizability	19.29
Ring Count	2
Rotatable Bond Count	0

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