chempirical

Methyl 5-fluoro-2-nitrobenzoate

C8H6FNO4CAS 393-85-1199.14 g/mol

Open in Covalent MOL file
OOFN+OO−
Aryl halideEsterNitro

Properties

Molecular formula
C8H6FNO4
Molar mass
199.14 g/mol
Exact mass
199.0281 Da
logP
1.52Crippen estimate
Polar surface area
69.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
393-85-1
SMILES
COC(=O)c1cc(F)ccc1[N+](=O)[O-]
InChIKey
LCAUVFVOLNRVKG-UHFFFAOYSA-N
InChI
InChI=1S/C8H6FNO4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,1H3

Weigh it out

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Names and synonyms

4 names
  • Benzoic acid, 5-fluoro-2-nitro-, methyl ester
  • 3-Methoxycarbonyl-4-nitrofluorobenzene
  • 5-Fluoro-2-nitro-benzoic acid methyl ester
  • 2-Nitro-5-fluorobenzoic acid methyl ester

Work with Methyl 5-fluoro-2-nitrobenzoate

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-nitrobenzoate697739-03-070 % similar Methyl 5-chloro-2-nitrobenzoate51282-49-667 % similar Methyl 2-nitrobenzoate606-27-963 % similar 5-Fluoro-2-nitrobenzoic acid320-98-960 % similar Methyl 3,4-dimethoxy-6-nitrobenzoate26791-93-559 % similar Dimethyl nitroterephthalate5292-45-559 % similar 2-Nitro-4-chlorobenzoic acid methyl ester42087-80-957 % similar Methyl 4-amino-2,3-difluoro-5-nitrobenzoate284030-58-656 % similar

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

Same formula

Methyl 4-fluoro-2-nitrobenzoate151504-81-3 Methyl 3-fluoro-4-nitrobenzoate185629-31-6 Methyl 4-fluoro-3-nitrobenzoate329-59-9 5-Fluoro-2-methyl-3-nitrobenzoic acid850462-64-5 2-Fluoro-3-nitrobenzoic acid methyl ester946126-94-9

Elsewhere

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