Chlorphenoctium

HCID 71848

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Basic information

CAS: 47166-61-0
Standard SMILES: CCCCCCCC[N+](C)(C)COc1ccc(Cl)cc1Cl
InChIKey: MPFGBTBBXXRJCD-UHFFFAOYSA-N
Molecular formula: C17H28Cl2NO+
Average molar mass: 333.3 g/mol
Monoisotopic mass: 332.1547949

Names & identifiers

Preferred name: Chlorphenoctium
IUPAC: (2,4-dichlorophenoxy)methyl-dimethyl-octylazanium

Names & synonyms

ChlorphenoctiumUNII-DO4NM1D8UUDO4NM1D8UU47166-61-0CHLORPHENOCTIUM IONCHLORPHENOCTIUM CATIONDTXSID90197054((2,4-DICHLOROPHENOXY)METHYL)DIMETHYL-N-OCTYLAMMONIUM1-OCTANAMINIUM, N-((2,4-DICHLOROPHENOXY)METHYL)-N,N-DIMETHYL-RefChem:125564DTXCID00119545n-[(2,4-dichlorophenoxy)methyl]-n,n-dimethyloctan-1-aminium

Show more names

Q27276507

Database identifiers

CAS: 47166-61-0
PubChem CID: 71848
DTXSID: DTXSID90197054
UNII: DO4NM1D8UU
Nikkaji: J221.588H

Properties

Computed structural properties

XLogP: 6.7
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 10
Heavy atoms: 21
Formal charge: 1
Complexity: 274

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