9,10-Anthracenedione, 1-chloro-8-phenoxy-
Basic information
- CAS
63512-26-5- Standard SMILES
O=C1c2cccc(Cl)c2C(=O)c2c(Oc3ccccc3)cccc21- InChIKey
VTWPUMWNAWJLDY-UHFFFAOYSA-N- Molecular formula
- C20H11ClO3
- Average molar mass
- 334.7 g/mol
- Monoisotopic mass
- 334.0396719
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1-chloro-8-phenoxy-
- IUPAC
- 1-chloro-8-phenoxyanthracene-9,10-dione
Names & synonyms
9,10-Anthracenedione, 1-chloro-8-phenoxy-63512-26-51-chloro-8-phenoxyanthracene-9,10-dioneDTXSID8074073SCHEMBL11580446
Database identifiers
- CAS
63512-26-5- PubChem CID
- 3085265
- DTXSID
DTXSID8074073- Nikkaji
- J1.622.936I
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 499
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Related reactions
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Compound notes
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