Difenol
Structural formula
| Business number | 03N9 |
|---|---|
| Molecular formula | C12H14N2O5 |
| Molecular weight | 266.45 |
| label |
4,6-Dinitrophoscyclohexylphenol, dinitrohexanol, 2-Cyclohexyl-4,6-dinitrophenol, Pedinex, aromatic compounds, Acaricide |
Numbering system
CAS number:131-89-5
MDL number:MFCD00242897
EINECS number:205-042-5
RTECS number:None
BRN number:None
PubChem number:24851132
Physical property data
None yet
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
5. Molecular property data:
1, Moore Refractive index: 67.08
2、 Molar volume (m3/mol ):192.7
3、 Isotonic specific volume (90.2K) ：539.6
4, Surface Tension (dyne/cm):61.4
5、 Polarizability (10-24cm3):26.59
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 4
6. Topological molecule polar surface area 112
7. Number of heavy atoms: 19
8. Surface charge: 0
9. Complexity: 345
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
FONT-FAMILY: Arial; mso-font-kerning: 0pt”>10-24cm3) ：26.59
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 4
6. Topological molecule polar surface area 112
7. Number of heavy atoms: 19
8. Surface charge: 0
9. Complexity: 345
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