chempirical

5-Nitro-2-furoyl chloride

C5H2ClNO4CAS 25084-14-4175.52 g/mol

Open in Covalent MOL file
OClN+OO−O
Acyl halideNitro

Properties

Molecular formula
C5H2ClNO4
Molar mass
175.52 g/mol
Exact mass
174.9672 Da
Melting point
38 °C
Boiling point
137 °C (at 15 Torr)
logP
1.57Crippen estimate
Polar surface area
73.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
25084-14-4
SMILES
O=C(Cl)c1ccc([N+](=O)[O-])o1
InChIKey
OLEFNFXYGGTROA-UHFFFAOYSA-N
InChI
InChI=1S/C5H2ClNO4/c6-5(8)3-1-2-4(11-3)7(9)10/h1-2H

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Names and synonyms

6 names
  • 2-Furancarbonyl chloride, 5-nitro-
  • 2-Furoyl chloride, 5-nitro-
  • 5-Nitro-2-furancarbonyl chloride
  • 2-(Chlorocarbonyl)-5-nitrofuran
  • 5-Nitrofuroyl chloride
  • NSC 74620

Work with 5-Nitro-2-furoyl chloride

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

5-Nitro-2-furoic acid645-12-561 % similar Methyl 5-nitro-2-furoate1874-23-356 % similar 2-Nitrobenzoyl chloride610-14-050 % similar 5-Nitrofurfural698-63-545 % similar 3,5-Dinitrobenzoyl chloride99-33-245 % similar 3-Nitrobenzoyl chloride121-90-444 % similar 3-(5-Nitro-2-furyl)acrylic acid6281-23-843 % similar 4-Chloro-3-nitrobenzoyl chloride38818-50-743 % similar

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

Elsewhere

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