chempirical

Aclonifen

C12H9ClN2O3CAS 74070-46-5264.67 g/mol

Open in Covalent MOL file
NH2N+OO−OCl
Aryl halideEtherNitroPrimary amine

Properties

Molecular formula
C12H9ClN2O3
Molar mass
264.67 g/mol
Exact mass
264.0302 Da
Melting point
81.5 °C
logP
3.62Crippen estimate
Polar surface area
78.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
74070-46-5
SMILES
Nc1c([N+](=O)[O-])ccc(Oc2ccccc2)c1Cl
InChIKey
DDBMQDADIHOWIC-UHFFFAOYSA-N
InChI
InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2

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Names and synonyms

8 names
  • Benzenamine, 2-chloro-6-nitro-3-phenoxy-
  • 2-Chloro-6-nitro-3-phenoxybenzenamine
  • CME 127
  • 2-Chloro-6-nitro-3-phenoxyaniline
  • Bandren
  • Bandur
  • KUB 3359
  • Challenge 600

Work with Aclonifen

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

2-Nitrodiphenyl ether2216-12-856 % similar 2-Chloro-6-nitrobenzenamine769-11-949 % similar 2-Methoxy-6-nitrobenzenamine16554-45-348 % similar 3-Nitro-1,2-phenylenediamine3694-52-847 % similar 2-Bromo-6-nitrobenzenamine59255-95-745 % similar 2-Fluoro-6-nitrobenzenamine17809-36-844 % similar 2-Amino-3-nitrophenol603-85-044 % similar Methyl 3-nitroanthranilate57113-91-441 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia