1-Bromo-2-chloro-4-fluorobenzene

C6H3BrClFCAS 110407-59-5209.44 g/mol

Open in Covalent MOL file
FClBr
Aryl halide

Properties

Molecular formula
C6H3BrClF
Molar mass
209.44 g/mol
Exact mass
207.9091 Da
logP
3.24Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 8 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
110407-59-5
SMILES
C1=CC(=C(C=C1F)Cl)Br
InChIKey
LEFQPBAWVJEIJS-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrClF/c7-5-2-1-4(9)3-6(5)8/h1-3H

Weigh it out

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Work with 1-Bromo-2-chloro-4-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

1,2-Dichloro-4-fluorobenzene1435-49-060 % similar 1,2-Dibromo-4-fluorobenzene2369-37-160 % similar 1-Bromo-2-chlorobenzene694-80-458 % similar 2-Chloro-4-fluorophenol1996-41-457 % similar 1-Bromo-2,4-dichlorobenzene1193-72-256 % similar 1-Chloro-2,5-difluorobenzene2367-91-156 % similar 1,4-Dibromo-2-chlorobenzene3460-24-056 % similar 1-Bromo-2,4-difluorobenzene348-57-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-3-chloro-2-fluorobenzene144584-65-6 1-Bromo-4-chloro-2-fluorobenzene1996-29-8 2-Bromo-4-chloro-1-fluorobenzene1996-30-1 2-Bromo-1-chloro-4-fluorobenzene201849-15-2 2-Bromo-1-chloro-3-fluorobenzene309721-44-6 1-Bromo-3-chloro-5-fluorobenzene33863-76-2 4-Bromo-1-chloro-2-fluorobenzene60811-18-9 4-Bromo-2-chloro-1-fluorobenzene60811-21-4

Elsewhere

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