Structural formula
| Business number | 03Q0 |
|---|---|
| Molecular formula | C14H21NO4 |
| Molecular weight | 267.33 |
| label |
1-Nitro-2,5-Dibutoxybenzene, 2,5-Dibutoxy-1-nitrobenzene, aromatic compounds |
Numbering system
CAS number:135-15-9
MDL number:None
EINECS number:205-180-6
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
Molecular property data:
1、 Molar refractive index：73.95
2、 Molar volume（m 3/mol):248.3
3、 Isotonic specific volume（90.2K）：614.8
4、 Surface tension（3.0 dyne/cm SPAN>):37.5
5、 Polarizability（ 0.5 10-24cm3): 29.31
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
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: 19
8. Surface charge: 0
9. Complexity: 254
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
>29.31
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
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: 19
8. Surface charge: 0
9. Complexity: 254
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
