Basic information
- CAS
13860-70-3- Standard SMILES
O=NN(CCCl)C(=O)C1CCC(C(=O)N(CCCl)N=O)CC1- InChIKey
VXIKYYMERMEAJF-UHFFFAOYSA-N- Molecular formula
- C12H18Cl2N4O4
- Average molar mass
- 353.2 g/mol
- Monoisotopic mass
- 352.0705105
Names & identifiers
- Preferred name
- 1,4-Cyclohexanedicarboxamide, n,n'-bis(2-chloroethyl)-n,n'-dinitroso-, trans-
- IUPAC
- 1-N,4-N-bis(2-chloroethyl)-1-N,4-N-dinitrosocyclohexane-1,4-dicarboxamide
Names & synonyms
13860-70-3NSC88722n,n'-bis(2-chloroethyl)-n,n'-dinitrosocyclohexane-1,4-dicarboxamide1,4-Cyclohexanedicarboxamide, n,n'-bis(2-chloroethyl)-n,n'-dinitroso-, trans-DTXSID20293331NSC-887221, N,N'-bis(2-chloroethyl)-N,N'-dinitroso-, trans-N~1~,N~4~-Bis(2-chloroethyl)-N~1~,N~4~-dinitrosocyclohexane-1,4-dicarboxamide
Database identifiers
- CAS
13860-70-3- PubChem CID
- 259124
- DTXSID
DTXSID20293331
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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