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4-chloro-1H-indole-2-carbonitrile

4-chloro-1H-indole-2-carbonitrile

CAS: 4404-11-9

Formula: C9H5ClN2

SMILES: ClC1=C2C=C(NC2=CC=C1)C#N

IUPAC: 4-chloro-1H-indole-2-carbonitrile

InChI: InChI=1S/C9H5ClN2/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-4,12H

Composition: C (61.21%), H (2.85%), Cl (20.07%), N (15.86%)

Molar Mass: 176.6

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 176.0141259
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey FDAFJTFFVWHCOX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.55
Topological Polar Surface Area 39.58
Polarizability 19.24
Ring Count 2
Rotatable Bond Count 0

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