chempirical

1-Chloro-2,5-dimethoxy-4-nitrobenzene

C8H8ClNO4CAS 6940-53-0217.61 g/mol

Open in Covalent MOL file
ON+OO−OCl
Aryl halideEtherNitro

Properties

Molecular formula
C8H8ClNO4
Molar mass
217.61 g/mol
Exact mass
217.0142 Da
Melting point
144–145 °C
logP
2.27Crippen estimate
Polar surface area
61.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
6940-53-0
SMILES
COc1cc([N+](=O)[O-])c(OC)cc1Cl
InChIKey
ORLPGMKKCAEWOW-UHFFFAOYSA-N
InChI
InChI=1S/C8H8ClNO4/c1-13-7-4-6(10(11)12)8(14-2)3-5(7)9/h3-4H,1-2H3

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Names and synonyms

5 names
  • Benzene, 1-chloro-2,5-dimethoxy-4-nitro-
  • 4-Chloro-2,5-dimethoxynitrobenzene
  • NSC 60143
  • 1-Chloro-2,5-bis(methyloxy)-4-nitrobenzene
  • 2,5-Dimethoxy-4-chloronitrobenzene

Work with 1-Chloro-2,5-dimethoxy-4-nitrobenzene

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

Same formula

3-Aminophthalic acid hydrochloride6946-22-1

Elsewhere

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