2,4′-Dichloro-4-nitrodiphenyl ether

C₁₂H₇Cl₂NO₃CAS 22544-07-6284.09 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitro

Properties

Molecular formula: C₁₂H₇Cl₂NO₃
Molar mass: 284.09 g/mol
Exact mass: 282.9803 Da
Melting point: 108–110 °C
logP: 4.69Crippen estimate
Polar surface area: 52.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

22544-07-6

SMILES

O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1

InChIKey

RTCVXHVOOYCYNA-UHFFFAOYSA-N

InChI

InChI=1S/C12H7Cl2NO3/c13-8-1-4-10(5-2-8)18-12-6-3-9(15(16)17)7-11(12)14/h1-7H

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Names and synonyms

5 names

Benzene, 2-chloro-1-(4-chlorophenoxy)-4-nitro-
Ether, 2-chloro-4-nitrophenyl p-chlorophenyl
2-Chloro-1-(4-chlorophenoxy)-4-nitrobenzene
2-Chloro-4-nitrophenyl p-chlorophenyl ether
2,4'-Dichloro-4-nitrodiphenyl ether

Work with 2,4′-Dichloro-4-nitrodiphenyl ether

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-Chloro-1-methoxy-4-nitrobenzene4920-79-061 % similar 4-Nitrochlorobenzene100-00-556 % similar 1,2-Dichloro-4-nitrobenzene99-54-755 % similar 2,4-Dinitrochlorobenzene97-00-753 % similar 4-Amino-2,4′-dichlorodiphenyl ether24900-79-652 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-351 % similar Dicapthon2463-84-551 % similar Bifenox42576-02-351 % similar

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

Same formula

Nitrofen1836-75-5

Elsewhere

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