chempirical

1-Bromo-4-fluoro-5-isopropyl-2-methoxybenzene

C10H12BrFOCAS 944317-92-4247.11 g/mol

Open in Covalent MOL file
FOBr
Aryl halideEther

Properties

Molecular formula
C10H12BrFO
Molar mass
247.11 g/mol
Exact mass
246.0056 Da
logP
3.72Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

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
944317-92-4
SMILES
CC(C)C1=CC(=C(C=C1F)OC)Br
InChIKey
CPPYOHQHPFTBON-UHFFFAOYSA-N
InChI
InChI=1S/C10H12BrFO/c1-6(2)7-4-8(11)10(13-3)5-9(7)12/h4-6H,1-3H3

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Work with 1-Bromo-4-fluoro-5-isopropyl-2-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

1-Bromo-4,5-difluoro-2-methoxybenzene202865-58-566 % similar 4-Fluoro-5-isopropyl-2-methoxyphenylboronic acid875446-29-057 % similar 1-Bromo-2,5-difluoro-4-methoxybenzene202865-60-954 % similar 1,4-Dibromo-2,5-dimethoxybenzene2674-34-252 % similar 1,4-Difluoro-2,5-dimethoxybenzene199866-90-547 % similar 1,2-Difluoro-4,5-dimethoxybenzene203059-80-747 % similar 4-Bromo-5-fluoro-2-methoxyaniline330794-03-146 % similar 1-Bromo-4-chloro-2-fluoro-5-methoxy-benzene146447-18-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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