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

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Purpose

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