2-Bromo-4,5-difluorophenol

C6H3BrF2OCAS 166281-37-4208.99 g/mol

Open in Covalent MOL file
HOFFBr
Aryl halidePhenol

Properties

Molecular formula
C6H3BrF2O
Molar mass
208.99 g/mol
Exact mass
207.9335 Da
logP
2.43Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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
166281-37-4
SMILES
Oc1cc(F)c(F)cc1Br
InChIKey
FCYZOOHWUOEAOX-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrF2O/c7-3-1-4(8)5(9)2-6(3)10/h1-2,10H

Weigh it out

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

Names and synonyms

3 names
  • Phenol, 2-bromo-4,5-difluoro-
  • 6-Bromo-3,4-difluorophenol
  • 4,5-Difluoro-2-bromophenol

Work with 2-Bromo-4,5-difluorophenol

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

2,5-Dibromohydroquinone14753-51-662 % similar 1,2-Dibromo-4,5-difluorobenzene64695-78-962 % similar 2,4,5-Trifluorophenol2268-16-857 % similar 1-Bromo-2,4,5-trifluorobenzene327-52-657 % similar 1,4-Dibromo-2,5-difluorobenzene327-51-555 % similar 2-Bromo-4-fluoro-5-nitrophenol84478-87-555 % similar 2-Bromo-5-fluorophenol147460-41-150 % similar 2-Bromo-4-fluorophenol496-69-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2,6-difluorophenol104197-13-9 4-Bromo-3,5-difluorophenol130191-91-2 4-Bromo-2,3-difluorophenol144292-32-0 5-Bromo-2,3-difluorophenol186590-26-1 2-Bromo-3,5-difluorophenol325486-43-9 5-Bromo-2,4-difluorophenol355423-48-2 4-Bromo-2,5-difluorophenol486424-36-6 2-Bromo-4,6-difluorophenol98130-56-4

Elsewhere

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