Basic information
- CAS
56594-21-9- Standard SMILES
Nc1c(CO)cc(Cl)c2c1C(=O)c1ccccc1C2=O- InChIKey
KMSUFAYLLUHUPI-UHFFFAOYSA-N- Molecular formula
- C15H10ClNO3
- Average molar mass
- 287.7 g/mol
- Monoisotopic mass
- 287.0349209
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1-amino-4-chloro-2-(hydroxymethyl)-
- IUPAC
- 1-amino-4-chloro-2-(hydroxymethyl)anthracene-9,10-dione
Names & synonyms
9,10-Anthracenedione, 1-amino-4-chloro-2-(hydroxymethyl)-56594-21-9DTXSID502051441-Amino-4-chloro-2-(hydroxymethyl)-9,10-anthracenedioneRefChem:312505DTXCID501276351-Amino-4-chloro-2-(hydroxymethyl)anthraquinone1-amino-4-chloro-2-(hydroxymethyl)anthracene-9,10-dioneKMSUFAYLLUHUPI-UHFFFAOYSA-N1-Amino-4-chloro-2-(hydroxymethyl)anthra-9,10-quinone #
Database identifiers
- CAS
56594-21-9- PubChem CID
- 41929
- DTXSID
DTXSID50205144- Nikkaji
- J591.324A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…