6-Bromo-1,3-benzodioxol-5-yl diethyl phosphate
Completing data — refresh the page later to see the latest
Basic information
- CAS
5454-27-3- Standard SMILES
CCOP(=O)(OCC)Oc1cc2c(cc1Br)OCO2- InChIKey
ALROGCOCZXGYAZ-UHFFFAOYSA-N- Molecular formula
- C11H14BrO6P
- Average molar mass
- 353.1 g/mol
- Monoisotopic mass
- 351.97114
Names & identifiers
- Preferred name
- 6-Bromo-1,3-benzodioxol-5-yl diethyl phosphate
- IUPAC
- (6-bromo-1,3-benzodioxol-5-yl) diethyl phosphate
- English name
- 6-bromo-5-diethoxyphosphoryloxy-benzo[1,3]dioxole
- Molecular formula
- C11H14BrO6P
- Molecular weight
- 353.1
Names & synonyms
5454-27-36-bromo-1,3-benzodioxol-5-yl diethyl phosphateNSC23047DTXSID90281785NSC-230476-BROMO-2H-1,3-BENZODIOXOL-5-YL DIETHYL PHOSPHATE6-bromo-5-diethoxyphosphoryloxy-benzo[1,3]dioxolePhosphoric acid, 6-bromo-1,3-benzodioxol-5-yl diethyl ester
Database identifiers
- CAS
5454-27-3- PubChem CID
- 229378
- DTXSID
DTXSID90281785
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…