1-Bromo-2-fluoro-5-(trifluoromethoxy)benzene

C7H3BrF4OCAS 286932-57-8259.00 g/mol

Open in Covalent MOL file
OFFFBrF
Alkyl halideAryl halideEther

Properties

Molecular formula
C7H3BrF4O
Molar mass
259.00 g/mol
Exact mass
257.9303 Da
logP
3.49Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number
286932-57-8
SMILES
C1=CC(=C(C=C1OC(F)(F)F)Br)F
InChIKey
VVVFPEJORKPEST-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrF4O/c8-5-3-4(1-2-6(5)9)13-7(10,11)12/h1-3H

Weigh it out

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

Names and synonyms

1 names
  • 2-Bromo-1-fluoro-4-(trifluoromethoxy)benzene

Work with 1-Bromo-2-fluoro-5-(trifluoromethoxy)benzene

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-4-(trifluoromethoxy)aniline175278-17-862 % similar 2-Fluoro-3-trifluoromethoxy aniline116369-23-459 % similar 3-Bromo-4-fluoroanisole1161497-23-958 % similar 2-Bromo-5-(trifluoromethoxy)phenol205371-26-257 % similar 2-Bromo-5-(trifluoromethoxy)aniline887267-47-257 % similar 2-Fluoro-5-(trifluoromethoxy)benzaldehyde886497-81-054 % similar 2,6-Dibromo-4-trifluoromethoxyaniline88149-49-953 % similar 1-Bromo-4-(trifluoromethoxy)benzene407-14-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene105529-58-6 1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene168971-68-4

Elsewhere

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