4-Bromo-2-fluoro-1-nitrobenzene

C6H3BrFNO2CAS 321-23-3220.00 g/mol

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

Properties

Molecular formula
C6H3BrFNO2
Molar mass
220.00 g/mol
Exact mass
218.9331 Da
Melting point
85–86 °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 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
321-23-3
SMILES
O=[N+]([O-])c1ccc(Br)cc1F
InChIKey
VQCWSOYHHXXWSP-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrFNO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 4-Nitro-3-fluoro-1-bromobenzene
  • Benzene, 4-bromo-2-fluoro-1-nitro-
  • 1-Bromo-3-fluoro-4-nitrobenzene
  • 4-Bromo-2-fluoronitrobenzene
  • 2-Fluoro-4-bromonitrobenzene
  • 1-Bromo-4-nitro-3-fluorobenzene

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

4-Bromo-1,2-dinitrobenzene610-38-868 % similar 3-Fluoro-4-nitrophenol394-41-265 % similar 2,4-Difluoronitrobenzene446-35-564 % similar 2,4-Dibromonitrobenzene51686-78-364 % similar 5-Bromo-1,3-difluoro-2-nitrobenzene147808-42-261 % similar 3-Fluoro-4-nitrobenzenamine2369-13-360 % similar 5-Bromo-2-nitrophenol27684-84-060 % similar 2-Fluoro-4-methyl-1-nitrobenzene446-34-460 % 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-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 2-Bromo-1-fluoro-3-nitrobenzene59255-94-6

Elsewhere

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