2-Bromo-4-fluoro-1-methoxybenzene

C7H6BrFOCAS 452-08-4205.03 g/mol

Open in Covalent MOL file
OFBr
Aryl halideEther

Properties

Molecular formula
C7H6BrFO
Molar mass
205.03 g/mol
Exact mass
203.9586 Da
Boiling point
79 °C (at 5 Torr)
logP
2.60Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

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
452-08-4
SMILES
COc1ccc(F)cc1Br
InChIKey
JIQXVIJARQLCOY-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrFO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 2-bromo-4-fluoro-1-methoxy-
  • Anisole, 2-bromo-4-fluoro-
  • 2-Bromo-4-fluoroanisole
  • NSC 10328
  • 4-Fluoro-2-bromoanisole

Work with 2-Bromo-4-fluoro-1-methoxybenzene

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-5-fluoroanisole450-88-472 % similar 4-Fluoro-1,2-dimethoxybenzene398-62-964 % similar 2,4-Dibromoanisole21702-84-160 % similar 1-Bromo-2,5-dimethoxybenzene25245-34-560 % similar 2,4-Difluoroanisole452-10-860 % similar 5-Fluoro-2-methoxyaniline1978-39-858 % similar 2-Bromo-4-methylanisole22002-45-558 % similar 4-Fluoro-1-methoxy-2-methylbenzene399-54-258 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-1-fluoro-2-methoxybenzene103291-07-2 3-Bromo-4-fluoroanisole1161497-23-9 4-Bromo-2-fluorobenzyl alcohol188582-62-9 2-Bromo-5-fluorobenzenemethanol202865-66-5 (3-Bromo-5-fluorophenyl)methanol216755-56-5 (4-Bromo-3-fluorophenyl)methanol222978-01-0 2-Bromo-4-fluorobenzyl alcohol229027-89-8 4-Bromo-2-fluoroanisole2357-52-0

Elsewhere

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