chempirical

4'-Fluoro-2'-nitroacetanilide

C8H7FN2O3CAS 448-39-5198.15 g/mol

Open in Covalent MOL file
OHNFN+OO−
AmideAryl halideNitro

Properties

Molecular formula
C8H7FN2O3
Molar mass
198.15 g/mol
Exact mass
198.0441 Da
logP
1.69Crippen estimate
Polar surface area
72.2 Ų
H-bond donors / acceptors
1 / 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
448-39-5
SMILES
CC(=O)NC1=C(C=C(C=C1)F)[N+](=O)[O-]
InChIKey
UZBZEUCQENVPQB-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FN2O3/c1-5(12)10-7-3-2-6(9)4-8(7)11(13)14/h2-4H,1H3,(H,10,12)

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Work with 4'-Fluoro-2'-nitroacetanilide

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

N1-(4,5-Dichloro-2-nitrophenyl)acetamide5462-30-660 % similar 4-Fluoro-1-methyl-2-nitrobenzene446-10-655 % similar 4'-Nitro-2'-(trifluoromethyl)acetanilide395-68-654 % similar 4-Fluoro-2-methyl-1-nitrobenzene446-33-354 % similar 4-Fluoro-1,2-dinitrobenzene364-53-453 % similar 4-Fluoro-1-iodo-2-nitrobenzene364-77-251 % similar 4-Nitro-3-trifluoromethylacetanilide393-12-451 % similar 2,5-Difluoronitrobenzene364-74-950 % similar

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

Elsewhere

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