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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