Halopenium
Basic information
- CAS
783240-86-8- Standard SMILES
Cc1cc(OCCC[N+](C)(C)Cc2ccc(Br)cc2)c(C(C)C)cc1Cl- InChIKey
VSXZKSNSPQZSDB-UHFFFAOYSA-N- Molecular formula
- C22H30BrClNO+
- Average molar mass
- 439.8 g/mol
- Monoisotopic mass
- 438.11993
Names & identifiers
- Preferred name
- Halopenium
- IUPAC
- (4-bromophenyl)methyl-[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)propyl]-dimethylazanium
Names & synonyms
HalopeniumHalopenium ionHalopenium cationUNII-FAZ43R62D7FAZ43R62D7783240-86-84-Bromobenzyl(3-(4-chloro-5-methyl-2-isopropylphenoxy)propyl)dimethylammoniumRefChem:145100CHEMBL2110890SCHEMBL29387744Q27277894
Database identifiers
- CAS
783240-86-8- PubChem CID
- 214345
- ChEMBL
CHEMBL2110890- UNII
- FAZ43R62D7
- Nikkaji
- J238.628C
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 1
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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