Aclonifen

C₁₂H₉ClN₂O₃CAS 74070-46-5264.67 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitro Primary 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 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Warning

H317 May cause an allergic skin reactionSensitization, Skin
H351 Suspected of causing cancerCarcinogenicity
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-120-00-6), via PubChem.

Precautionary statements

P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P391, P405, P501

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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Type any one amount. The others follow from the molar mass.

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 2,6-Dinitroaniline606-22-451 % similar 2-Chloro-6-nitrobenzenamine769-11-949 % similar 2-Methoxy-6-nitrobenzenamine16554-45-348 % similar 2-Nitro-1-naphthylamine607-23-847 % similar 3-Nitro-1,2-phenylenediamine3694-52-847 % similar 2-Bromo-6-nitrobenzenamine59255-95-745 % similar 2-Chloro-1,3-dinitrobenzene606-21-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia