Basic information
- CAS
41312-88-3- Standard SMILES
Nc1c(Cl)c(OCCc2ccccc2)c(N)c2c1C(=O)c1ccccc1C2=O- InChIKey
LLCMVTRJZDGYKQ-UHFFFAOYSA-N- Molecular formula
- C22H17ClN2O3
- Average molar mass
- 392.8 g/mol
- Monoisotopic mass
- 392.0927701
Names & identifiers
- Preferred name
- 1,4-Diamino-2-chloro-3-(2-phenylethoxy)anthracene-9,10-dione
- IUPAC
- 1,4-diamino-2-chloro-3-(2-phenylethoxy)anthracene-9,10-dione
Names & synonyms
41312-88-31,4-Diamino-2-chloro-3-phenethoxyanthracene-9,10-dione1,4-Diamino-2-chloro-3-(2-phenylethoxy)anthracene-9,10-dioneDTXSID80785626
Database identifiers
- CAS
41312-88-3- PubChem CID
- 71361982
- DTXSID
DTXSID80785626
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 594
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…