2-(3,5-Dichloro-4-hydroxyphenyl)indene-1,3-dione

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Basic information

CAS: 69574-17-0
Standard SMILES: O=C1c2ccccc2C(=O)C1c1cc(Cl)c(O)c(Cl)c1
InChIKey: YLAFYOHFPBEWEM-UHFFFAOYSA-N
Molecular formula: C15H8Cl2O3
Average molar mass: 307.1 g/mol
Monoisotopic mass: 305.9850495

Names & identifiers

Preferred name: 2-(3,5-Dichloro-4-hydroxyphenyl)indene-1,3-dione
IUPAC: 2-(3,5-dichloro-4-hydroxyphenyl)indene-1,3-dione

Names & synonyms

69574-17-02-(3,5-dichloro-4-hydroxyphenyl)-1H-indene-1,3(2H)-dione2-(3,5-dichloro-4-hydroxyphenyl)indene-1,3-dioneNSC286322DTXSID80314591NSC-286322DS-002910AM-814/410923171H-indene-1,3(2h)-dione,2-(3,5-dichloro-4-hydroxyphenyl)-

Database identifiers

CAS: 69574-17-0
PubChem CID: 323712
DTXSID: DTXSID80314591

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 54.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 20
Formal charge: 0
Complexity: 389

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Compound notes

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