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
