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
