chempirical

2-Bromo-6-fluoroanisole

C7H6BrFOCAS 845829-94-9205.03 g/mol

Open in Covalent MOL file
OBrF
Aryl halideEther

Properties

Molecular formula
C7H6BrFO
Molar mass
205.03 g/mol
Exact mass
203.9586 Da
logP
2.60Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
845829-94-9
SMILES
COC1=C(C=CC=C1Br)F
InChIKey
RLSQPLJXDTXSCL-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrFO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names
  • 1-Bromo-3-fluoro-2-methoxybenzene

Work with 2-Bromo-6-fluoroanisole

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

1,3-Difluoro-2-methoxybenzene437-82-172 % similar 2,6-Dibromoanisole38603-09-768 % similar 3-Fluoro-2-methoxyaniline437-83-260 % similar 2-Chloro-6-fluoroanisole53145-38-360 % similar 1-Bromo-2,3-dimethoxybenzene5424-43-159 % similar 2-Amino-6-bromoanisole116557-46-157 % similar 2-Bromo-4,6-difluoroanisole202865-59-656 % similar 2-Bromo-3-fluoroanisole446-59-353 % 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

PubChem CAS Common Chemistry NIST WebBook