Ethyl dibromofluoroacetate
Structural formula
| Business number | 05T7 |
|---|---|
| Molecular formula | C4H5FBr2O |
| Molecular weight | 263.89 |
| label |
Dibromofluoroacetic acid ethyl ester, Pharmaceutical R&D |
Numbering system
CAS number:565-53-7
MDL number:MFCD00042068
EINECS number:000-000-0
RTECS number:None
BRN number:1762048
PubChem ID:None
Physical property data
1. Physical property data
1. Boiling point:82℃.
2. Density1.894.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
5. Molecular property data: 1. Molar refractive index:37.94 2. Molar volume (m3/mol):129.9 3. Isotonic specific volume (90.2K): 324.9 4. Surface tension (dyne/cm): 39.1 5. Polarizability（10-24 cm3):15.04
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 26.3
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 115
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine Number of stereocenters of chemical bonds: 0
14. Number of stereocenters of uncertain chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
