Basic information
- CAS
6718-71-4- Standard SMILES
C[NH+]1CCC[NH2+]C1c1ccc(-c2ccc(Br)cc2)o1- InChIKey
SROPGFFLPSJEKT-UHFFFAOYSA-P- Molecular formula
- C15H19BrN2O+2
- Average molar mass
- 323.23 g/mol
- Monoisotopic mass
- 322.06808
Names & identifiers
- Preferred name
- 2-[5-(4-Bromophenyl)furan-2-yl]-1-methyl-1,3-diazinane-1,3-diium
- IUPAC
- 2-[5-(4-bromophenyl)furan-2-yl]-1-methyl-1,3-diazinane-1,3-diium
Names & synonyms
6718-71-42-[5-(4-bromophenyl)furan-2-yl]-1-methyl-1,3-diazinane-1,3-diiumDTXSID20410566
Database identifiers
- CAS
6718-71-4- PubChem CID
- 5215331
- DTXSID
DTXSID20410566
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 34.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 2
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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