Basic information
- CAS
6204-41-7- Standard SMILES
BrC[C@@H]1OC[C@@H](COCc2ccccc2)O1- InChIKey
XRDOVVFGDQXDTR-VXGBXAGGSA-N- Molecular formula
- C12H15BrO3
- Average molar mass
- 287.15 g/mol
- Monoisotopic mass
- 286.02046
Names & identifiers
- Preferred name
- (2r,4r)-4-[(Benzyloxy)methyl]-2-(bromomethyl)-1,3-dioxolane
- IUPAC
- (2R,4R)-2-(bromomethyl)-4-(phenylmethoxymethyl)-1,3-dioxolane
- English name
- (E)-4-[(benzyloxy)methyl]-2-(bromomethyl)-1,3-dioxolane
- Molecular formula
- C12H15BrO3
- Molecular weight
- 287.15
Names & synonyms
6204-41-7(2r,4r)-4-[(benzyloxy)methyl]-2-(bromomethyl)-1,3-dioxolaneEINECS 228-271-2DTXSID001167077NS00126703(E)-4-((Benzyloxy)methyl)-2-(bromomethyl)-1,3-dioxolane1,3-Dioxolane, 2-(bromomethyl)-4-[(phenylmethoxy)methyl]-, trans-(E)-4-[(benzyloxy)methyl]-2-(bromomethyl)-1,3-dioxolanetrans-2-(Bromomethyl)-4-[(phenylmethoxy)methyl]-1,3-dioxolane1,3-Dioxolane, 2-(bromomethyl)-4-[(phenylmethoxy)methyl]-, trans- (9CI)
Database identifiers
- CAS
6204-41-7- PubChem CID
- 111170
- DTXSID
DTXSID001167077- EC Number
- 228-271-2
- Nikkaji
- J215.961I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 360.7 · 360.7±37.0 °C(Predicted)
- Density
- 1.369 · 1.369±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…