4-Amino-7-chloro-1-hydroxy-2-phenoxyanthracene-9,10-dione
Basic information
- CAS
88604-64-2- Standard SMILES
Nc1cc(Oc2ccccc2)c(O)c2c1C(=O)c1ccc(Cl)cc1C2=O- InChIKey
YPVGDTVFFRJRHG-UHFFFAOYSA-N- Molecular formula
- C20H12ClNO4
- Average molar mass
- 365.8 g/mol
- Monoisotopic mass
- 365.0454856
Names & identifiers
- Preferred name
- 4-Amino-7-chloro-1-hydroxy-2-phenoxyanthracene-9,10-dione
- IUPAC
- 4-amino-7-chloro-1-hydroxy-2-phenoxyanthracene-9,10-dione
Names & synonyms
88604-64-24-Amino-7-chloro-1-hydroxy-2-phenoxyanthracene-9,10-dioneSCHEMBL10783306DTXSID70603340YPVGDTVFFRJRHG-UHFFFAOYSA-N1-hydroxy-2-phenoxy-4-amino-7-chloro-anthraquinone
Database identifiers
- CAS
88604-64-2- PubChem CID
- 20188065
- DTXSID
DTXSID70603340
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 564
Related reactions
1 records
Compound notes
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