Ammonium, ((3-((2,4-dichlorophenoxy)methyl)-3-oxetanyl)methyl)trimethyl-, bromide

HCID 19948

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Basic information

CAS: 4034-08-6
Standard SMILES: C[N+](C)(C)CC1(COc2ccc(Cl)cc2Cl)COC1.[Br-]
InChIKey: RJZCYSOGZHSHDF-UHFFFAOYSA-M
Molecular formula: C14H20BrCl2NO2
Average molar mass: 385.1 g/mol
Monoisotopic mass: 383.00545

Names & identifiers

Preferred name: Ammonium, ((3-((2,4-dichlorophenoxy)methyl)-3-oxetanyl)methyl)trimethyl-, bromide
IUPAC: [3-[(2,4-dichlorophenoxy)methyl]oxetan-3-yl]methyl-trimethylazanium bromide

Names & synonyms

HC 60174034-08-6((3-((2,4-Dichlorophenoxy)methyl)-3-oxetanyl)methyl)trimethylammonium bromide3-Oxetanemethanaminium, 3-((2,4-dichlorophenoxy)methyl)-N,N,N-trimethyl-, bromideAmmonium, ((3-((2,4-dichlorophenoxy)methyl)-3-oxetanyl)methyl)trimethyl-, bromideRefChem:318625DTXSID90960765{3-[(2,4-Dichlorophenoxy)methyl]oxetan-3-yl}-N,N,N-trimethylmethanaminium bromide

Database identifiers

CAS: 4034-08-6
PubChem CID: 19948
DTXSID: DTXSID90960765

Properties

Computed structural properties

Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 302

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