3-chloro-1H-indole-2-carbonitrile

3-chloro-1H-indole-2-carbonitrile

CAS: 74960-46-6

Formula: C9H5ClN2

SMILES: ClC1=C(NC2=CC=CC=C12)C#N

IUPAC: 3-chloro-1H-indole-2-carbonitrile

InChI: InChI=1S/C9H5ClN2/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/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	ZJPXWLZSUROYHX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.55
Topological Polar Surface Area	39.58
Polarizability	19.27
Ring Count	2
Rotatable Bond Count	0

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