Basic information
- CAS
3635-14-1- Standard SMILES
CC[N+](C)(CC)CC1(COc2ccccc2Cl)COC1.[Br-]- InChIKey
YRDOGOKIRJGZBZ-UHFFFAOYSA-M- Molecular formula
- C16H25BrClNO2
- Average molar mass
- 378.7 g/mol
- Monoisotopic mass
- 377.07572
Names & identifiers
- Preferred name
- Ammonium, ((3-((o-chlorophenoxy)methyl)-3-oxetanyl)methyl)diethylmethyl-, bromide
- IUPAC
- [3-[(2-chlorophenoxy)methyl]oxetan-3-yl]methyl-diethyl-methylazanium bromide
Names & synonyms
HC 602s3635-14-1((3-((o-Chlorophenoxy)methyl)-3-oxetanyl)methyl)diethylmethylammonium bromideAmmonium, ((3-((o-chlorophenoxy)methyl)-3-oxetanyl)methyl)diethylmethyl-, bromide3-Oxetanemethanaminium, 3-((2-chlorophenoxy)methyl)-N,N-diethyl-N-methyl-, bromideRefChem:318626DTXSID00957686N-({3-[(2-chlorophenoxy)methyl]oxetan-3-yl}methyl)-N-ethyl-N-methylethanaminium bromide
Database identifiers
- CAS
3635-14-1- PubChem CID
- 19263
- DTXSID
DTXSID00957686
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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