4-Amino-6-chloro-1-hydroxy-2-phenoxyanthracene-9,10-dione

HCID 20188071

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Basic information

CAS: 88602-45-3
Standard SMILES: Nc1cc(Oc2ccccc2)c(O)c2c1C(=O)c1cc(Cl)ccc1C2=O
InChIKey: RTNAMOZBNIOLEX-UHFFFAOYSA-N
Molecular formula: C20H12ClNO4
Average molar mass: 365.8 g/mol
Monoisotopic mass: 365.0454856

Names & identifiers

Preferred name: 4-Amino-6-chloro-1-hydroxy-2-phenoxyanthracene-9,10-dione
IUPAC: 4-amino-6-chloro-1-hydroxy-2-phenoxyanthracene-9,10-dione

Names & synonyms

88602-45-34-Amino-6-chloro-1-hydroxy-2-phenoxyanthracene-9,10-dioneSCHEMBL10778274DTXSID10603344RTNAMOZBNIOLEX-UHFFFAOYSA-N1-hydroxy-2-phenoxy-4-amino-6-chloroanthraquinone

Database identifiers

CAS: 88602-45-3
PubChem CID: 20188071
DTXSID: DTXSID10603344

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 89.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 26
Formal charge: 0
Complexity: 564

Related reactions

1 records

New reaction record

HRID 1789321As productuspto-grants-1987_08

Compound notes

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