3-bromo-4-nitro-1H-indole

3-bromo-4-nitro-1H-indole

CAS: 126807-08-7

Formula: C8H5BrN2O2

SMILES: [O-][N+](=O)C1=C2C(Br)=CNC2=CC=C1

IUPAC: 3-bromo-4-nitro-1H-indole

InChI: InChI=1S/C8H5BrN2O2/c9-5-4-10-6-2-1-3-7(8(5)6)11(12)13/h1-4,10H

Composition: C (39.86%), H (2.09%), Br (33.15%), N (11.62%), O (13.27%)

Molar Mass: 241.044

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	239.95344
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	VYQRPDVMVMLVHA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.09
Topological Polar Surface Area	58.93
Polarizability	20.24
Ring Count	2
Rotatable Bond Count	1

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