1,3-bis(4-nitrobenzene)urea
structural formula
| business number | 05z7 |
|---|---|
| molecular formula | c13h10n4o5 |
| molecular weight | 302.24 |
| label |
4,4′-dinitrodiphenylurea, 4′,4′′-dinitrocarbanilide, (o2nc6h4nh)2co, miscellaneous biochemistry |
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
