Basic information
- CAS
121211-14-1- Standard SMILES
Cl.O=C1c2cccc(O)c2C(=O)c2c(O)cc(CN(CCCl)CCCl)cc21- InChIKey
VHTAXVLUEFVDMK-UHFFFAOYSA-N- Molecular formula
- C19H18Cl3NO4
- Average molar mass
- 430.7 g/mol
- Monoisotopic mass
- 429.030141
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 3-((bis(2-chloroethyl)amino)methyl)-1,8-dihydroxy-, hydrochloride (1:1)
- IUPAC
- 3-[bis(2-chloroethyl)aminomethyl]-1,8-dihydroxyanthracene-9,10-dione;hydrochloride
Names & synonyms
9,10-Anthracenedione, 3-((bis(2-chloroethyl)amino)methyl)-1,8-dihydroxy-, hydrochloride (1:1)121211-14-1SK 31662DTXSID401531853-[bis(2-chloroethyl)aminomethyl]-1,8-dihydroxyanthracene-9,10-dione;hydrochloride3-{[Bis(2-chloroethyl)amino]methyl}-1,8-dihydroxyanthracene-9,10-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
121211-14-1- PubChem CID
- 147668
- DTXSID
DTXSID40153185
Properties
Computed structural properties
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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