structural formula
| business number | 023g |
|---|---|
| molecular formula | c10h12clno4 |
| molecular weight | 245.66 |
| label |
1-chloro-2,5-diethoxy-4-nitrobenzene, 4-chloro-2,5-diethoxynitrobenzene, 4-chloro-2,5-diethoxynitrobenzene |
numbering system
cas number:91-43-0
mdl number:mfcd00024578
einecs number:202-067-3
rtecs number:none
brn number:none
pubchem id:none
physical property data
none
toxicological data
none
ecological data
none
molecular structure data
1. molar refractive index: 60.31
2. molar volume (cm3/mol): 194.2
3. isotonic specific volume (90.2k ): 491.5
4. surface tension (dyne/cm): 41.0
5. polarizability (10-24cm3): 23.91
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 3.1
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 4
5. number of tautomers: none
6. topological molecule polar surface area 64.3
7. number of heavy atoms: 16
8. surface charge: 0
9. complexity: 233
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
storage method
none
synthesis method
none
purpose
none
