2-(Chloromethyl)-1,4-dihydroxy-8-methoxyanthracene-9,10-dione
Basic information
- CAS
110086-97-0- Standard SMILES
COc1cccc2c1C(=O)c1c(O)c(CCl)cc(O)c1C2=O- InChIKey
UPWHDQPVRBFQOZ-UHFFFAOYSA-N- Molecular formula
- C16H11ClO5
- Average molar mass
- 318.71 g/mol
- Monoisotopic mass
- 318.0295011
Names & identifiers
- Preferred name
- 2-(Chloromethyl)-1,4-dihydroxy-8-methoxyanthracene-9,10-dione
- IUPAC
- 2-(chloromethyl)-1,4-dihydroxy-8-methoxyanthracene-9,10-dione
Names & synonyms
NSC616639DTXSID0011832772-(Chloromethyl)-1,4-dihydroxy-8-methoxy-9,10-anthracenedione2-(chloromethyl)-1,4-dihydroxy-8-methoxyanthracene-9,10-dioneNSC-616639110086-97-0
Database identifiers
- CAS
110086-97-0- PubChem CID
- 438086
- DTXSID
DTXSID001183277
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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