chempirical

1-Bromo-2-fluoro-4-nitrobenzene

C6H3BrFNO2CAS 185331-69-5220.00 g/mol

Open in Covalent MOL file
N+OO−FBr
Aryl halideNitro

Properties

Molecular formula
C6H3BrFNO2
Molar mass
220.00 g/mol
Exact mass
218.9331 Da
logP
2.50Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
185331-69-5
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])F)Br
InChIKey
AZYQMHQOHNGPRR-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrFNO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H

Weigh it out

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Work with 1-Bromo-2-fluoro-4-nitrobenzene

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-1-fluoro-4-nitrobenzene701-45-175 % similar 3,4-Difluoronitrobenzene369-34-668 % similar 1-Bromo-2,4-dinitrobenzene584-48-564 % similar 2-Bromo-5-nitroaniline10403-47-160 % similar 2-Fluoro-1-methyl-4-nitrobenzene1427-07-260 % similar 1-Bromo-2-chloro-4-nitrobenzene29682-39-160 % similar 3-Fluoro-4-iodonitrobenzene2996-30-760 % similar 1-Chloro-2-fluoro-4-nitrobenzene350-31-260 % similar

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

Same formula

5-Bromo-2-fluoropyridine-3-carboxylic acid29241-66-5 4-Bromo-2-fluoro-1-nitrobenzene321-23-3 4-Bromo-1-fluoro-2-nitrobenzene364-73-8 6-Bromo-5-fluoro-3-pyridinecarboxylic acid38186-87-7 2-Bromo-5-fluoro-3-pyridinecarboxylic acid38186-89-9 1-Bromo-4-fluoro-2-nitrobenzene446-09-3 5-Bromo-3-fluoropicolinic acid669066-91-5 2-Bromo-4-fluoro-1-nitrobenzene700-36-7

Elsewhere

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