chempirical

2,3-Dichloro-5,8-dihydroxy-1,4-naphthoquinone

C10H4Cl2O4CAS 14918-69-5259.04 g/mol

Open in Covalent MOL file
HOOOClClOH
AlkeneKetonePhenolVinyl halide

Properties

Molecular formula
C10H4Cl2O4
Molar mass
259.04 g/mol
Exact mass
257.9487 Da
logP
2.17Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

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
14918-69-5
SMILES
C1=CC(=C2C(=C1O)C(=O)C(=C(C2=O)Cl)Cl)O
InChIKey
UVESKDKGJSABKP-UHFFFAOYSA-N
InChI
InChI=1S/C10H4Cl2O4/c11-7-8(12)10(16)6-4(14)2-1-3(13)5(6)9(7)15/h1-2,13-14H

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Work with 2,3-Dichloro-5,8-dihydroxy-1,4-naphthoquinone

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

1,4,5,8-Tetrahydroxy-9,10-anthracenedione81-60-750 % similar Dichlone117-80-646 % similar Naphthazarin475-38-745 % similar 1,4-Dihydroxyanthraquinone81-64-142 % similar 1,5-Diamino-4,8-dihydroxy-9,10-anthracenedione145-49-339 % similar 2,6-Dihydroxybenzoic acid303-07-139 % similar Anthrarufin117-12-438 % similar 2′,6′-Dihydroxyacetophenone699-83-238 % similar

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

Elsewhere

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