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CAS No.: | 73096-40-9 |
---|---|
Name: | 5-(2-Iodophenyl)-1H-tetrazole |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C7H5 I N4 |
Molecular Weight: | 272.048 |
Synonyms: | 1H-Tetrazole,5-(2-iodophenyl)- (9CI); 5-(2-Iodophenyl)-1H-tetrazole;5-(o-Iodophenyl)tetrazole |
Density: | 2.018g/cm3 |
Boiling Point: | 403.187°C at 760 mmHg |
Flash Point: | 197.64°C |
PSA: | 54.46000 |
LogP: | 1.47130 |
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Molecular Structure of 5-(2-Iodophenyl)-1H-tetrazole (CAS NO.73096-40-9):
Empirical Formula: C7H5IN4
Molecular Weight: 272.0459
CAS Registry Number: 73096-40-9
ACD/LogP: 2.64
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 1
ACD/LogD (pH 7.4): 0
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 12
ACD/KOC (pH 7.4): 4
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 54.46 Å2
Index of Refraction: 1.706
Molar Refractivity: 52.458 cm3
Molar Volume: 134.785 cm3
Surface Tension: 76.248 dyne/cm
Density: 2.018 g/cm3
Flash Point: 197.64 °C
Enthalpy of Vaporization: 65.445 kJ/mol
Boiling Point: 403.187 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
SMILES: Ic1ccccc1c2nnnn2
InChI: InChI=1/C7H5IN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
5-(2-Iodophenyl)-1H-tetrazole , with CAS number of 73096-40-9, can be called 1H-tetrazole, 5-(2-iodophenyl)- .