3-chloro-7-nitro-1H-indole

3-chloro-7-nitro-1H-indole

CAS: 165669-14-7

Formula: C8H5ClN2O2

SMILES: [O-][N+](=O)C1=C2NC=C(Cl)C2=CC=C1

IUPAC: 3-chloro-7-nitro-1H-indole

InChI: InChI=1S/C8H5ClN2O2/c9-6-4-10-8-5(6)2-1-3-7(8)11(12)13/h1-4,10H

Composition: C (48.88%), H (2.56%), Cl (18.03%), N (14.25%), O (16.28%)

Molar Mass: 196.59

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	196.0039551
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QDGYVAQMPDTWIE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.27
Topological Polar Surface Area	58.93
Polarizability	19.31
Ring Count	2
Rotatable Bond Count	1

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