1-Bromo-2,3-difluorobenzene

C6H3BrF2CAS 38573-88-5192.99 g/mol

Open in Covalent MOL file
FBrF
Aryl halide

Properties

Molecular formula
C6H3BrF2
Molar mass
192.99 g/mol
Exact mass
191.9386 Da
logP
2.73Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 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
38573-88-5
SMILES
Fc1cccc(Br)c1F
InChIKey
RKWWASUTWAFKHA-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrF2/c7-4-2-1-3-5(8)6(4)9/h1-3H

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 1-bromo-2,3-difluoro-
  • 2,3-Difluorobromobenzene
  • 2,3-Difluoro-1-bromobenzene

Work with 1-Bromo-2,3-difluorobenzene

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-Bromo-2,3,4-trifluorobenzene176317-02-565 % similar 1,2,3-Trifluorobenzene1489-53-865 % similar 1-Bromo-2-fluorobenzene1072-85-159 % similar 1,2-Dibromo-3-fluoro-benzene811711-33-858 % similar 1,4-Dibromo-2,3-difluorobenzene156682-52-957 % similar 1-Bromo-3-chloro-2-fluorobenzene144584-65-656 % similar 1-Bromo-2-chloro-3-fluorobenzene883499-24-956 % similar 1-Bromo-3-chloro-2,4-difluorobenzene201849-13-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-2,4-difluorobenzene348-57-2 1-Bromo-3,4-difluorobenzene348-61-8 1-Bromo-2,5-difluorobenzene399-94-0 1-Bromo-3,5-difluorobenzene461-96-1 2-Bromo-1,3-difluorobenzene64248-56-2

Elsewhere

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