2-bromo-5-nitro-1H-indole-3-carbaldehyde

2-bromo-5-nitro-1H-indole-3-carbaldehyde

CAS: 1246471-79-3

Formula: C9H5BrN2O3

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

IUPAC: 2-bromo-5-nitro-1H-indole-3-carbaldehyde

InChI: InChI=1S/C9H5BrN2O3/c10-9-7(4-13)6-3-5(12(14)15)1-2-8(6)11-9/h1-4,11H

Composition: C (40.18%), H (1.87%), Br (29.70%), N (10.41%), O (17.84%)

Molar Mass: 269.054

Atom Count: 20

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	267.948355
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SOFYKVNGTHUQOO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.45
Topological Polar Surface Area	76
Polarizability	22.24
Ring Count	2
Rotatable Bond Count	2

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