2-Bromo-1-fluoro-4-nitrobenzene

C6H3BrFNO2CAS 701-45-1220.00 g/mol

Open in Covalent MOL file
ON+O−FBr
Aryl halideNitro

Properties

Molecular formula
C6H3BrFNO2
Molar mass
220.00 g/mol
Exact mass
218.9331 Da
Melting point
60–62 °C
logP
2.50Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
701-45-1
SMILES
O=[N+]([O-])c1ccc(F)c(Br)c1
InChIKey
FAWMTDSAMOCUAR-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H

Weigh it out

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Names and synonyms

4 names
  • Benzene, 2-bromo-1-fluoro-4-nitro-
  • 3-Bromo-4-fluoronitrobenzene
  • 3-Bromo-4-fluoro-1-nitrobenzene
  • 1-Bromo-2-fluoro-5-nitrobenzene

Work with 2-Bromo-1-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

3,4-Difluoronitrobenzene369-34-668 % similar 1-Fluoro-2,4-dinitrobenzene70-34-864 % similar 2-Bromo-4-nitrobenzenamine13296-94-160 % similar 2-Bromo-1-chloro-4-nitrobenzene16588-26-460 % similar 3-Chloro-4-fluoronitrobenzene350-30-160 % similar 2-Fluoro-5-nitrobenzenamine369-36-860 % similar 2-Fluoro-5-nitrotoluene455-88-960 % similar 2-Bromo-4-nitrophenol5847-59-660 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-2-fluoro-4-nitrobenzene185331-69-5 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-fluoropyridine-3-carboxylic acid38186-89-9 1-Bromo-4-fluoro-2-nitrobenzene446-09-3 3-Bromo-2-fluoronitrobenzene58534-94-4

Elsewhere

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