Ammonium, ((3-((o-chlorophenoxy)methyl)-3-oxetanyl)methyl)trimethyl-, bromide

HCID 19639

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Basic information

CAS: 3804-65-7
Standard SMILES: C[N+](C)(C)CC1(COc2ccccc2Cl)COC1.[Br-]
InChIKey: AYGSUSOGIKLGTJ-UHFFFAOYSA-M
Molecular formula: C14H21BrClNO2
Average molar mass: 350.68 g/mol
Monoisotopic mass: 349.04442

Names & identifiers

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

Names & synonyms

H.C. 6023((3-((o-Chlorophenoxy)methyl)-3-oxetanyl)methyl)trimethylammonium bromide3804-65-73-Oxetanemethanaminium, 3-((2-chlorophenoxy)methyl)-N,N,N-trimethyl-, bromideAMMONIUM, ((3-((o-CHLOROPHENOXY)METHYL)-3-OXETANYL)METHYL)TRIMETHYL-, BROMIDERefChem:318627DTXSID80959002{3-[(2-Chlorophenoxy)methyl]oxetan-3-yl}-N,N,N-trimethylmethanaminium bromide

Database identifiers

CAS: 3804-65-7
PubChem CID: 19639
DTXSID: DTXSID80959002

Properties

Computed structural properties

Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 273

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