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5-bromo-1H-indole-3-carbonitrile

5-bromo-1H-indole-3-carbonitrile

CAS: 90271-86-6

Formula: C9H5BrN2

SMILES: BrC1=CC=C2NC=C(C#N)C2=C1

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

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

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 ZPUQCVKBNRGSAP-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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