2-Chloro-1,5,8-trihydroxyanthracene-9,10-dione

HCID 21497699
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Basic information

CAS
57039-68-6
Standard SMILES
O=C1c2ccc(Cl)c(O)c2C(=O)c2c(O)ccc(O)c21
InChIKey
JPVMCQKALOPNJF-UHFFFAOYSA-N
Molecular formula
C14H7ClO5
Average molar mass
290.65 g/mol
Monoisotopic mass
289.998201

Names & identifiers

Preferred name
2-Chloro-1,5,8-trihydroxyanthracene-9,10-dione
IUPAC
2-chloro-1,5,8-trihydroxyanthracene-9,10-dione

Names & synonyms

2-Chloro-1,5,8-trihydroxyanthracene-9,10-dione57039-68-6SCHEMBL11788768DTXSID50614994JPVMCQKALOPNJF-UHFFFAOYSA-N6-chloro-1,4,5-trihydroxyanthraquinone

Database identifiers

CAS
57039-68-6
PubChem CID
21497699
DTXSID
DTXSID50614994

Properties

Computed structural propertiesFilling in

XLogP
3.5
Topological polar surface area
94.8 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
20

Related reactions

1 records
New reaction record

Compound notes

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