6-nitro-1H-indole-3-carbonitrile

6-nitro-1H-indole-3-carbonitrile

CAS: 4769-99-7

Formula: C9H5N3O2

SMILES: [O-][N+](=O)C1=CC=C2C(NC=C2C#N)=C1

IUPAC: 6-nitro-1H-indole-3-carbonitrile

InChI: InChI=1S/C9H5N3O2/c10-4-6-5-11-9-3-7(12(13)14)1-2-8(6)9/h1-3,5,11H

Composition: C (57.76%), H (2.69%), N (22.45%), O (17.10%)

Molar Mass: 187.158

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	187.038176413
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZYNGQQUAXSHFSR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.19
Topological Polar Surface Area	82.72
Polarizability	19.23
Ring Count	2
Rotatable Bond Count	1

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