5-nitrofuronitrile 5-nitro-2-furonitrile
structural formula
| business number | 01an |
|---|---|
| molecular formula | c5h2n2o3 |
| molecular weight | 138.08 |
| label |
2-nitrofuran-5-carbonitrile |
numbering system
cas number:59-82-5
mdl number:mfcd00082647
einecs number:none
rtecs number:none
brn number:123933
pubchem id:none
physical property data
none yet
toxicological data
none yet
ecological data
none yet
molecular structure data
5. molecular property data:
1. molar refractive index: 29.83
2. molar volume (m3/mol）：94.3
3. isotonic specific volume (90.2k): 265.3
4. surface tension (dyne/cm):62.4
5. polarizability（10-24cm3):11.82
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 1.2
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 0
5. number of tautomers: none
6. topological molecule polar surface area 82.8
7. number of heavy atoms: 10
8. surface charge: 0
9. complexity: 189
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 yet
storage method
none yet
synthesis method
none yet
purpose
none yet
