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

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Toxicological data

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Ecological data

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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

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Storage method

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Synthesis method

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Purpose

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