4-bromo-1H-indole-6-carbonitrile

4-bromo-1H-indole-6-carbonitrile

CAS: 374633-29-1

Formula: C9H5BrN2

SMILES: BrC1=C2C=CNC2=CC(=C1)C#N

IUPAC: 4-bromo-1H-indole-6-carbonitrile

InChI: InChI=1S/C9H5BrN2/c10-8-3-6(5-11)4-9-7(8)1-2-12-9/h1-4,12H

Composition: C (48.90%), H (2.28%), Br (36.15%), N (12.67%)

Molar Mass: 221.057

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	219.963611
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	LIXMZLHXLYDHRO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.49
Topological Polar Surface Area	39.58
Polarizability	20.07
Ring Count	2
Rotatable Bond Count	0

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