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
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Purpose
None yet