structural formula
| business number | 03ew |
|---|---|
| molecular formula | c9h9clo2 |
| molecular weight | 184.62 |
| label |
2-phenoxypropionyl chloride, alpha-phenoxypropionyl chloride, alpha-phenoxypropionyl chloride, 2-phenoxypropanoylchloride, 2-phenoxypropionyl chloride 95+%, aromatic compounds |
numbering system
cas number:122-35-0
mdl number:mfcd00018810
einecs number:204-536-8
rtecs number:none
brn number:639419
pubchem number:24850350
physical property data
none yet
toxicological data
none yet
ecological data
none yet
molecular structure data
1. molar refractive index: 47.03
2. molar volume（m3/ mol）：155.3
3. isotonic ratio（90.2k）：384.4
4. surface tension(dyne/cm)：37.5
5. dielectric constant:
6. dipole moment（10 -24cm3)：
7. polarizability: 18.64
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 2.9
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 2
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: 12
8. surface charge: 0
9. complexity: 153
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 1
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
p; polarizability:18.64
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 2.9
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 2
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: 12
8. surface charge: 0
9. complexity: 153
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 1
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
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