chempirical

2-Bromo-5-fluoroanisole

C7H6BrFOCAS 450-88-4205.03 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
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
450-88-4
SMILES
COC1=C(C=CC(=C1)F)Br
InChIKey
KGYXKRGMSUHYCY-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrFO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,1H3

Weigh it out

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Work with 2-Bromo-5-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

2-Bromo-4-fluoro-1-methoxybenzene452-08-472 % similar 4-Fluoro-1,2-dimethoxybenzene398-62-964 % similar 1-Bromo-2,4-dimethoxybenzene17715-69-460 % similar 2,4-Difluoroanisole452-10-860 % similar 1,4-Difluoro-2-methoxybenzene75626-17-460 % similar 4-Fluoro-2-methoxyaniline450-91-958 % similar 4-Bromo-3-methoxyphenol102127-34-456 % similar 1-Bromo-4-chloro-2-methoxybenzene174913-09-856 % 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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