2-Bromo-1-chloro-3-fluorobenzene

C6H3BrClFCAS 309721-44-6209.44 g/mol

Open in Covalent MOL file
ClBrF
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 2 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
309721-44-6
SMILES
C1=CC(=C(C(=C1)Cl)Br)F
InChIKey
GBESIUPWXGQOFP-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrClF/c7-6-4(8)2-1-3-5(6)9/h1-3H

Weigh it out

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Names and synonyms

1 names
  • 2-Chloro-6-fluorobromobenzene

Work with 2-Bromo-1-chloro-3-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

2-Bromo-1,3-difluorobenzene64248-56-268 % similar 2-Bromo-1,3-dichlorobenzene19393-92-164 % similar 1,2-Dibromo-3-fluoro-benzene811711-33-860 % similar 1-Chloro-2-fluorobenzene348-51-658 % similar 1-Bromo-2-chloro-4,6-diflorobenzene1020198-58-657 % similar 1,2-Dichloro-3-fluorobenzene36556-50-054 % similar 2-Bromo-3-fluoroaniline111721-75-654 % similar 2-Bromo-3-fluorophenol443-81-254 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-2-chloro-4-fluorobenzene110407-59-5 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 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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