3-Bromo-5-fluorophenol

C6H4BrFOCAS 433939-27-6191.00 g/mol

Open in Covalent MOL file
FBrOH
Aryl halidePhenol

Properties

Molecular formula
C6H4BrFO
Molar mass
191.00 g/mol
Exact mass
189.9430 Da
logP
2.29Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 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
433939-27-6
SMILES
C1=C(C=C(C=C1F)Br)O
InChIKey
JCPJGUPQZDEZQH-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrFO/c7-4-1-5(8)3-6(9)2-4/h1-3,9H

Weigh it out

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Names and synonyms

1 names
  • 3-Fluoro-5-bromophenol

Work with 3-Bromo-5-fluorophenol

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

5-Bromoresorcinol106120-04-164 % similar 1,3-Dibromo-5-fluorobenzene1435-51-464 % similar 3,5-Difluorophenol2713-34-064 % similar 1-Bromo-3,5-difluorobenzene461-96-164 % similar 3,5-Dibromophenol626-41-564 % similar 1-Bromo-3-fluoro-5-methylbenzene202865-83-656 % similar 3-Fluoro-5-methylphenol216976-31-752 % similar 3-Bromo-5-fluoroaniline134168-97-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-2-fluorophenol112204-58-7 4-Bromo-3-fluorophenol121219-03-2 2-Bromo-5-fluorophenol147460-41-1 3-Bromo-2-fluorophenol156682-53-0 2-Bromo-6-fluorophenol2040-89-3 4-Bromo-2-fluorophenol2105-94-4 3-Bromo-4-fluorophenol27407-11-0 2-Bromo-3-fluorophenol443-81-2

Elsewhere

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