1,3-bis(4-nitrobenzene)urea

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:587-90-6

mdl number:mfcd00024602

einecs number:209-607-7

rtecs number:none

brn number:2225762

pubchem number:24864321

physical property data

1. physical property data

1. melting point (ºc): 300

toxicological data

none yet

ecological data

none yet

molecular structure data

molecular property data:

1, molar refractive index:78.16

2, molar volume (m³/mol):193.5

3, isotonic specific volume (90.2k ):576.4

4, surface tension (dyne/ cm):78.6

5、 polarizability (10^-24cm³):30.98

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.1

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 5

4. number of rotatable chemical bonds: 2

5. number of tautomers: 2

6. topological molecule polar surface area 133

7. number of heavy atoms: 22

8. surface charge: 0

9. complexity: 379

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