3-Bromo-5-fluoro-4-methoxyaniline

C₇H₇BrFNOCAS 875664-44-1220.04 g/mol

Open in Covalent MOL file

Aryl halide Ether Primary amine

Properties

Molecular formula: C₇H₇BrFNO
Molar mass: 220.04 g/mol
Exact mass: 218.9695 Da
logP: 2.18Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
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

875664-44-1

SMILES

COC1=C(C=C(C=C1Br)N)F

InChIKey

DPALOVXCAGMEBU-UHFFFAOYSA-N

InChI

InChI=1S/C7H7BrFNO/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3H,10H2,1H3

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Work with 3-Bromo-5-fluoro-4-methoxyaniline

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

3,5-Difluoro-4-methoxyaniline363-47-372 % similar 2-Bromo-4,6-difluoroanisole202865-59-664 % similar 3-Bromo-4,5-difluorobenzenamine875664-41-855 % similar 2-Bromo-6-fluoroanisole845829-94-953 % similar 4-Bromo-2,6-difluoroanisole104197-14-052 % similar 3-Bromo-4-methoxyaniline19056-41-847 % similar 3-Fluoro-4-methoxyaniline366-99-447 % similar 3-Bromo-4-fluorobenzenamine656-64-447 % similar

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

Same formula

4-Bromo-5-fluoro-2-methoxyaniline330794-03-1

Elsewhere

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