chempirical

1,2-Dibromo-3,5-difluorobenzene

C6H2Br2F2CAS 10105-60-9271.89 g/mol

Open in Covalent MOL file
FBrBrF
Aryl halide

Properties

Molecular formula
C6H2Br2F2
Molar mass
271.89 g/mol
Exact mass
269.8491 Da
logP
3.49Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number
10105-60-9
SMILES
C1=C(C=C(C(=C1F)Br)Br)F
InChIKey
GABNJPUNFZFOJE-UHFFFAOYSA-N
InChI
InChI=1S/C6H2Br2F2/c7-4-1-3(9)2-5(10)6(4)8/h1-2H

Weigh it out

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

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

2-Bromo-1,3,5-trifluorobenzene2367-76-273 % similar 1,2,3-Tribromo-5-fluorobenzene576-82-973 % similar 1,2,5-Tribromo-3-fluorobenzene2839-37-462 % similar 1-Bromo-2-chloro-4,6-diflorobenzene1020198-58-657 % similar 1,2-Dibromo-5-chloro-3-fluorobenzene208186-78-157 % similar 2-Bromo-4,6-difluorobenzenamine444-14-457 % similar 2-Bromo-4,6-difluorophenol98130-56-457 % similar 1-Bromo-2,4-difluorobenzene348-57-252 % similar

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

Same formula

1,3-Dibromo-2,5-difluorobenzene128259-68-7 1,4-Dibromo-3,5-difluorobenzene128259-71-2 1,2-Dibromo-3,5-difluorobenzene139215-43-3 1,4-Dibromo-2,3-difluorobenzene156682-52-9 1,4-Dibromo-2,5-difluorobenzene327-51-5 1,2-Dibromo-4,5-difluorobenzene64695-78-9

Elsewhere

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