chempirical

2-(2-Nitroethenyl)furan

C6H5NO3CAS 699-18-3139.11 g/mol

Open in Covalent MOL file
ON+O−O
AlkeneNitro

Properties

Molecular formula
C6H5NO3
Molar mass
139.11 g/mol
Exact mass
139.0269 Da
Melting point
74–75 °C
logP
1.53Crippen estimate
Polar surface area
56.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
699-18-3
SMILES
O=[N+]([O-])C=Cc1ccco1
InChIKey
WVUICGOYGDHVBH-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H

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Names and synonyms

9 names
  • Furan, 2-(2-nitroethenyl)-
  • Furan, 2-(2-nitrovinyl)-
  • 2-(2-Nitrovinyl)furan
  • 2-Furylnitroethylene
  • 1-(α-Furyl)-2-nitroethylene
  • 1-(2-Furyl)-2-nitroethene
  • NSC 5650
  • G 0
  • 2-(Furan-2-yl)nitroethylene

Work with 2-(2-Nitroethenyl)furan

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

β-Nitrostyrene102-96-552 % similar 1,3-Dichloro-2-(2-nitroethenyl)benzene22482-43-547 % similar 2-Furanacrolein623-30-347 % similar 2-(2-Nitroethenyl)thiophene874-84-046 % similar Furfural98-01-144 % similar 1-Chloro-4-(2-nitroethenyl)benzene706-07-043 % similar 1-Fluoro-4-(2-nitroethenyl)benzene706-08-143 % similar Furylacrylic acid539-47-942 % similar

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

Same formula

4-Nitrophenol100-02-7 3-Hydroxy-4-pyridinecarboxylic acid10128-71-9 Isonicotinic acid N-oxide13602-12-5 6-Hydroxypicolinic acid19621-92-2 Nicotinic acid N-oxide2398-81-4 5-Hydroxynicotinic acid27828-71-3 6-Hydroxynicotinic acid5006-66-6 3-Nitrophenol554-84-7

Elsewhere

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