1,4-Bis(2-bromoethyl)-1,4-diazoniabicyclo[2.2.1]heptane;trihydroxy(oxo)-lambda5-chlorane
Basic information
- CAS
77628-00-3- Standard SMILES
BrCC[N+]12CC[N+](CCBr)(CC1)C2.[O-][Cl+](O)(O)O- InChIKey
SEWDIFWEAKITQN-UHFFFAOYSA-N- Molecular formula
- C9H21Br2ClN2O4+2
- Average molar mass
- 416.53 g/mol
- Monoisotopic mass
- 413.95566
Names & identifiers
- Preferred name
- 1,4-Bis(2-bromoethyl)-1,4-diazoniabicyclo[2.2.1]heptane;trihydroxy(oxo)-lambda5-chlorane
- IUPAC
- 1,4-bis(2-bromoethyl)-1,4-diazoniabicyclo[2.2.1]heptane;trihydroxy(oxo)-λ5-chlorane
Names & synonyms
NSC27848077628-00-3DTXSID50330566NSC-2784801, 1,4-bis(2-bromoethyl)-, diperchlorate
Database identifiers
- CAS
77628-00-3- PubChem CID
- 430587
- DTXSID
DTXSID50330566
Properties
Computed structural properties
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 2
- Complexity
- 218
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…