2-Bromo-5-fluoro-4-nitrobenzenamine

C₆H₄BrFN₂O₂CAS 952664-69-6235.01 g/mol

Open in Covalent MOL file

Aryl halide Nitro Primary amine

Properties

Molecular formula: C₆H₄BrFN₂O₂
Molar mass: 235.01 g/mol
Exact mass: 233.9440 Da
logP: 2.08Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

952664-69-6

SMILES

Nc1cc(F)c([N+](=O)[O-])cc1Br

InChIKey

PKDUOURYTVRBLI-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrFN2O2/c7-3-1-6(10(11)12)4(8)2-5(3)9/h1-2H,9H2

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Names and synonyms

2 names

Benzenamine, 2-bromo-5-fluoro-4-nitro-
2-Bromo-5-fluoro-4-nitroaniline

Work with 2-Bromo-5-fluoro-4-nitrobenzenamine

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

Similar compounds

1-Bromo-2,4-difluoro-5-nitrobenzene345-24-471 % similar 2,4-Dinitro-5-fluoroaniline367-81-771 % similar 4,5-Difluoro-2-nitroaniline78056-39-063 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-458 % similar 4-Fluoro-2-methoxy-5-nitroaniline1075705-01-956 % similar 1,2,4-Trifluoro-5-nitrobenzene2105-61-556 % similar 4-Fluoro-3-nitroaniline364-76-155 % similar 2-Bromo-5-nitroaniline10403-47-151 % similar

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

Same formula

2-Bromo-4-fluoro-6-nitroaniline10472-88-5

Elsewhere

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