6-Bromo-4-chloro-3-nitroquinoline

C₉H₄BrClN₂O₂CAS 723281-72-9287.50 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₉H₄BrClN₂O₂
Molar mass: 287.50 g/mol
Exact mass: 285.9145 Da
logP: 3.56Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

723281-72-9

SMILES

O=[N+]([O-])c1cnc2ccc(Br)cc2c1Cl

InChIKey

KHKPVEMMXJCWGP-UHFFFAOYSA-N

InChI

InChI=1S/C9H4BrClN2O2/c10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15/h1-4H

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Names and synonyms

1 names

Quinoline, 6-bromo-4-chloro-3-nitro-

Work with 6-Bromo-4-chloro-3-nitroquinoline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

7-Bromo-4-chloro-3-nitroquinoline723280-98-6

Elsewhere

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