chempirical

2-Fluoro-N-methyl-5-nitroaniline

C7H7FN2O2CAS 110729-51-6170.14 g/mol

Open in Covalent MOL file
HNN+OO−F
Aryl halideNitroSecondary amine

Properties

Molecular formula
C7H7FN2O2
Molar mass
170.14 g/mol
Exact mass
170.0492 Da
logP
1.78Crippen estimate
Polar surface area
55.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
110729-51-6
SMILES
CNC1=C(C=CC(=C1)[N+](=O)[O-])F
InChIKey
YWKHWTYJUYVMND-UHFFFAOYSA-N
InChI
InChI=1S/C7H7FN2O2/c1-9-7-4-5(10(11)12)2-3-6(7)8/h2-4,9H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Fluoro-N-methyl-5-nitroaniline

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

3,4-Difluoronitrobenzene369-34-662 % similar 2-Fluoro-5-nitrotoluene455-88-959 % similar (2-Fluorophenyl)[2-(methylamino)-5-nitrophenyl]methanone735-06-859 % similar 1-Fluoro-2,4-dinitrobenzene70-34-858 % similar 2-Fluoro-1-methyl-4-nitrobenzene1427-07-255 % similar 3-Chloro-4-fluoronitrobenzene350-30-155 % similar 2-Fluoro-5-nitrobenzenamine369-36-855 % similar 2-Bromo-1-fluoro-4-nitrobenzene701-45-155 % similar

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

Elsewhere

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