chempirical

3-Bromo-5-fluoroanisole

C7H6BrFOCAS 29578-39-0205.03 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
29578-39-0
SMILES
COC1=CC(=CC(=C1)Br)F
InChIKey
XVNQVSGOIUYOPB-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrFO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3

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Work with 3-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

1-Bromo-3,5-dimethoxybenzene20469-65-268 % similar 1-Fluoro-3,5-dimethoxybenzene52189-63-668 % similar 1,3-Dibromo-5-methoxybenzene74137-36-368 % similar 1,3-Difluoro-5-methoxybenzene93343-10-368 % similar 1-Bromo-3-methoxy-5-methylbenzene29578-83-457 % similar 1,3-Dibromo-5-fluorobenzene1435-51-456 % similar 1-Bromo-3,5-difluorobenzene461-96-156 % similar 1-Chloro-3-fluoro-5-methoxybenzene202925-08-455 % 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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