chempirical

6-Fluoro-4-nitro-2-benzofuran-1(3H)-one

C8H4FNO4CAS 1207453-90-4197.12 g/mol

Open in Covalent MOL file
N+OO−FOO
Aryl halideEsterLactoneNitro

Properties

Molecular formula
C8H4FNO4
Molar mass
197.12 g/mol
Exact mass
197.0124 Da
logP
1.40Crippen estimate
Polar surface area
69.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
1207453-90-4
SMILES
C1C2=C(C=C(C=C2[N+](=O)[O-])F)C(=O)O1
InChIKey
JBLFHMWQMPVDDL-UHFFFAOYSA-N
InChI
InChI=1S/C8H4FNO4/c9-4-1-5-6(3-14-8(5)11)7(2-4)10(12)13/h1-2H,3H2

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Names and synonyms

1 names
  • 6-Fluoro-4-nitro-3H-isobenzofuran-1-one

Work with 6-Fluoro-4-nitro-2-benzofuran-1(3H)-one

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

Methyl 5-fluoro-2-methyl-3-nitrobenzoate697739-03-053 % similar Methyl 5-fluoro-2-nitrobenzoate393-85-151 % similar Methyl 4-fluoro-2-nitrobenzoate151504-81-349 % similar 6-Nitrophthalide610-93-548 % similar 5-Fluoro-2-methyl-3-nitrobenzoic acid850462-64-546 % similar 5-Fluoro-2-nitrobenzoic acid320-98-945 % similar Ethyl o-nitrobenzoate610-34-444 % similar 4-Fluoro-2-nitrobenzoic acid394-01-443 % similar

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

Elsewhere

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