chempirical

1-Chloro-5-fluoro-2-methoxy-4-nitrobenzene

C7H5ClFNO3CAS 84478-76-2205.57 g/mol

Open in Covalent MOL file
ON+OO−FCl
Aryl halideEtherNitro

Properties

Molecular formula
C7H5ClFNO3
Molar mass
205.57 g/mol
Exact mass
204.9942 Da
logP
2.40Crippen 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
84478-76-2
SMILES
COC1=C(C=C(C(=C1)[N+](=O)[O-])F)Cl
InChIKey
CRONHBXGPYQWHX-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClFNO3/c1-13-7-3-6(10(11)12)5(9)2-4(7)8/h2-3H,1H3

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Work with 1-Chloro-5-fluoro-2-methoxy-4-nitrobenzene

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-Chloro-2,5-dimethoxy-4-nitrobenzene6940-53-073 % similar 1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-867 % similar 4-Fluoro-2-methoxy-5-nitroaniline1075705-01-963 % similar 2-Chloro-4-fluoro-5-nitrotoluene112108-73-363 % similar 1-Chloro-2,4-difluoro-5-nitrobenzene1481-68-161 % similar 2-Chloro-4-fluoro-5-nitrophenol84478-75-159 % similar 1,2-Dimethoxy-4,5-dinitrobenzene3395-03-758 % similar 1-Fluoro-5-methoxy-2-methyl-4-nitrobenzene314298-13-056 % similar

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

Elsewhere

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