Basic information
- CAS
112165-59-0- Standard SMILES
O=C1COCC(CBr)O1- InChIKey
ZJLBAFKVOTUTAY-UHFFFAOYSA-N- Molecular formula
- C5H7BrO3
- Average molar mass
- 195.01 g/mol
- Monoisotopic mass
- 193.95786
Names & identifiers
- Preferred name
- 6-(Bromomethyl)-1,4-dioxan-2-one
- IUPAC
- 6-(bromomethyl)-1,4-dioxan-2-one
Names & synonyms
6-(Bromomethyl)-1,4-dioxan-2-one112165-59-0DTXSID90547035
Database identifiers
- CAS
112165-59-0- PubChem CID
- 13699301
- DTXSID
DTXSID90547035
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 115
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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