2,3-Bis(bromomethyl)-1,4-dimethoxyanthracene-9,10-dione
Basic information
- CAS
67122-25-2- Standard SMILES
COc1c(CBr)c(CBr)c(OC)c2c1C(=O)c1ccccc1C2=O- InChIKey
DFWWTQSJYNWQPT-UHFFFAOYSA-N- Molecular formula
- C18H14Br2O4
- Average molar mass
- 454.1 g/mol
- Monoisotopic mass
- 451.92588
Names & identifiers
- Preferred name
- 2,3-Bis(bromomethyl)-1,4-dimethoxyanthracene-9,10-dione
- IUPAC
- 2,3-bis(bromomethyl)-1,4-dimethoxyanthracene-9,10-dione
Names & synonyms
2,3-bis(bromomethyl)-1,4-dimethoxyanthracene-9,10-dione67122-25-2DTXSID10318648RefChem:244357DTXCID00269771NSC333501SCHEMBL9405241NSC-333501DS-0060971,4-dimethoxy-2,3-dibromomethylanthracene-9,10-dione9,10-Anthracenedione,2,3-bis(bromomethyl)-1,4-dimethoxy-
Database identifiers
- CAS
67122-25-2- PubChem CID
- 333263
- DTXSID
DTXSID10318648
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 453
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Compound notes
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