5-nitrofuronitrile 5-nitro-2-furonitrile

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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

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purpose

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