2-(Chloromethyl)-1-hydroxy-4,8-dimethoxyanthracene-9,10-dione
Basic information
- CAS
75963-94-9- Standard SMILES
COc1cccc2c1C(=O)c1c(O)c(CCl)cc(OC)c1C2=O- InChIKey
HBJIPEXEAYGBJG-UHFFFAOYSA-N- Molecular formula
- C17H13ClO5
- Average molar mass
- 332.7 g/mol
- Monoisotopic mass
- 332.0451512
Names & identifiers
- Preferred name
- 2-(Chloromethyl)-1-hydroxy-4,8-dimethoxyanthracene-9,10-dione
- IUPAC
- 2-(chloromethyl)-1-hydroxy-4,8-dimethoxyanthracene-9,10-dione
Names & synonyms
2-(chloromethyl)-1-hydroxy-4,8-dimethoxyanthracene-9,10-dione75963-94-9NSC616637DTXSID703267899,10-Anthracenedione, 2-(chloromethyl)-1-hydroxy-4,8-dimethoxy-NSC-616637
Database identifiers
- CAS
75963-94-9- PubChem CID
- 357501
- DTXSID
DTXSID70326789
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 482
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Compound notes
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