1,3-Dibromo-2-chloro-5-fluorobenzene

C6H2Br2ClFCAS 179897-90-6288.34 g/mol

Open in Covalent MOL file
FBrClBr
Aryl halide

Properties

Molecular formula
C6H2Br2ClF
Molar mass
288.34 g/mol
Exact mass
285.8196 Da
logP
4.00Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
179897-90-6
SMILES
Fc1cc(Br)c(Cl)c(Br)c1
InChIKey
PZKDJJMHRYNBOR-UHFFFAOYSA-N
InChI
InChI=1S/C6H2Br2ClF/c7-4-1-3(10)2-5(8)6(4)9/h1-2H

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Names and synonyms

2 names
  • Benzene, 1,3-dibromo-2-chloro-5-fluoro-
  • 1-Chloro-2,6-dibromo-4-fluorobenzene

Work with 1,3-Dibromo-2-chloro-5-fluorobenzene

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

1,3-Dibromo-2,5-difluorobenzene128259-68-757 % similar 1,2,3-Tribromo-5-fluorobenzene576-82-957 % similar 4-Chloro-3,5-dibromotoluene202925-05-152 % similar 2,6-Dibromo-4-fluoroaniline344-18-352 % similar 2,6-Dibromo-4-fluorophenol344-20-752 % similar 1,3-Dibromo-5-fluoro-2-iodobenzene62720-29-052 % similar 2-Bromo-1-chloro-4-fluorobenzene201849-15-252 % similar 2-Bromo-6-chloro-4-fluorobenzenamine201849-14-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,5-Dibromo-2-chloro-3-fluorobenzene202925-04-0 1,2-Dibromo-5-chloro-3-fluorobenzene208186-78-1

Elsewhere

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