Structural formula
Business number | 020L |
---|---|
Molecular formula | C14H20ClNO4 |
Molecular weight | 301.77 |
label |
1-Chloro-2,5-dibutoxy-4-nitrobenzene, 1-Chloro-2,5-dibutoxy-4-nitrobenzene |
Numbering system
CAS number:89-30-5
MDL number:None
EINECS number:201-896-8
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: 78.84
2. Molar volume (cm3/mol): 260.2
3. Isotonic specific volume (90.2K ): 650.6
4. Surface tension (dyne/cm): 39.0
5. Polarizability (10-24cm3): 31.25
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 4.8
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 8
5. Number of tautomers: none
6. Topological molecule polar surface area 64.3
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 285
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