Structural formula
Business number | 03M7 |
---|---|
Molecular formula | C11H11IN2O |
Molecular weight | 314.13 |
label |
1,2-dihydro-4-iodo-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one, aromatic compounds |
Numbering system
CAS number:129-81-7
MDL number:MFCD00040720
EINECS number:204-966-6
RTECS number:None
BRN number:None
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: 68.11
2. Molar volume (m3/mol):176.7
3. isotonic specific volume (90.2K):488.1
4. Surface Tension (dyne/cm):58.1
5. Polarizability(10-24cm3):27.00
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 23.6
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 308
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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