chempirical

4-Bromo-2-fluoro-6-nitroanisole

C7H5BrFNO3CAS 74266-66-3250.02 g/mol

Open in Covalent MOL file
OFBrN+OO−
Aryl halideEtherNitro

Properties

Molecular formula
C7H5BrFNO3
Molar mass
250.02 g/mol
Exact mass
248.9437 Da
logP
2.51Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
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
74266-66-3
SMILES
COC1=C(C=C(C=C1F)Br)[N+](=O)[O-]
InChIKey
CVCAYLYLJKBSNV-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrFNO3/c1-13-7-5(9)2-4(8)3-6(7)10(11)12/h2-3H,1H3

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Work with 4-Bromo-2-fluoro-6-nitroanisole

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

4-Bromo-2,6-difluoroanisole104197-14-065 % similar 4-Bromo-2-fluoro-6-nitrotoluene502496-34-663 % similar 4-Bromo-2-fluoro-6-nitrophenol320-76-359 % similar 2-Fluoro-6-nitroanisole484-94-659 % similar 5-Bromo-1,3-difluoro-2-nitrobenzene147808-42-255 % similar 4-Bromo-2-fluoro-1-nitrobenzene321-23-355 % similar 4-Bromo-1-fluoro-2-nitrobenzene364-73-855 % similar 4-Bromo-1-methoxy-2-nitrobenzene33696-00-355 % similar

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

Elsewhere

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