2,5-Dichloro-3,6-bis(2-chloroethylamino)cyclohexa-2,5-diene-1,4-dione
Basic information
- CAS
20765-06-4- Standard SMILES
O=C1C(Cl)=C(NCCCl)C(=O)C(Cl)=C1NCCCl- InChIKey
WYVFUBGEAGRWSE-UHFFFAOYSA-N- Molecular formula
- C10H10Cl4N2O2
- Average molar mass
- 332 g/mol
- Monoisotopic mass
- 329.949638
Names & identifiers
- Preferred name
- 2,5-Dichloro-3,6-bis(2-chloroethylamino)cyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2,5-dichloro-3,6-bis(2-chloroethylamino)cyclohexa-2,5-diene-1,4-dione
Names & synonyms
20765-06-4NSC 211398NSC2113982,5-dichloro-3,6-bis(2-chloroethylamino)cyclohexa-2,5-diene-1,4-dioneDTXSID10309238NSC-2113982,5-DICHLORO-3,6-BIS[(2-CHLOROETHYL)AMINO]CYCLOHEXA-2,5-DIENE-1,4-DIONE
Database identifiers
- CAS
20765-06-4- PubChem CID
- 309211
- DTXSID
DTXSID10309238
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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