chempirical

2-Bromo-4-fluoro-6-nitroaniline

C6H4BrFN2O2CAS 10472-88-5235.01 g/mol

Open in Covalent MOL file
N+OO−H2NBrF
Aryl halideNitroPrimary 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
10472-88-5
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])N)Br)F
InChIKey
HCYDUPDSEDHSQB-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrFN2O2/c7-4-1-3(8)2-5(6(4)9)10(11)12/h1-2H,9H2

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Work with 2-Bromo-4-fluoro-6-nitroaniline

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

2-Bromo-4,6-dinitroaniline1817-73-869 % similar 2,4-Difluoro-6-nitrobenzenamine364-30-766 % similar 2-Bromo-4-methyl-6-nitrobenzenamine827-24-765 % similar 2-Bromo-4-chloro-6-nitrobenzenamine827-25-865 % similar 4-Amino-3-bromo-5-nitrobenzotrifluoride113170-71-164 % similar 1-Bromo-5-fluoro-2-methyl-3-nitrobenzene502496-33-562 % similar 2-Bromo-4-fluoro-1-nitrobenzene700-36-761 % similar 1-Bromo-4-fluoro-2-nitrobenzene446-09-358 % similar

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

Same formula

2-Bromo-5-fluoro-4-nitrobenzenamine952664-69-6

Elsewhere

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