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