Methyl 2-[4-bromo-2-(chloromethyl)phenoxy]acetate;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
Basic information
- CAS
16253-49-9- Standard SMILES
C1N2CN3CN1CN(C2)C3.COC(=O)COc1ccc(Br)cc1CCl- InChIKey
NLCNCHOANNPJFG-UHFFFAOYSA-N- Molecular formula
- C16H22BrClN4O3
- Average molar mass
- 433.7 g/mol
- Monoisotopic mass
- 432.05638
Names & identifiers
- Preferred name
- Methyl 2-[4-bromo-2-(chloromethyl)phenoxy]acetate;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
- IUPAC
- methyl 2-[4-bromo-2-(chloromethyl)phenoxy]acetate;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
Names & synonyms
16253-49-9DTXSID60936710Methyl [4-bromo-2-(chloromethyl)phenoxy]acetate--1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane (1/1)
Database identifiers
- CAS
16253-49-9- PubChem CID
- 159783
- DTXSID
DTXSID60936710
Properties
Computed structural properties
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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