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98027-95-3

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Basic Information
CAS No.: 98027-95-3
Name: 2,6-Diiodopurine
Molecular Structure:
Molecular Structure of 98027-95-3 (2,6-Diiodopurine)
Formula: C5H2I2N4
Molecular Weight: 371.907
Synonyms: Purine,2,6-diiodo- (6CI);
Density: 3.38 g/cm3
Boiling Point: 327 °C
Flash Point: 151 °C
PSA: 54.46000
LogP: 1.56210
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Specification

This chemical is called 2,6-Diiodopurine, and its systematic name is 2,6-diiodo-9H-purine. With the molecular formula of C5H2I2N4, its molecular weight is 371.91. The CAS registry number of this chemical is 98027-95-3.

Other characteristics of the 2,6-Diiodopurine can be summarised as followings: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 13; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 214; (8)ACD/KOC (pH 7.4): 80; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.46 Å2; (13)Index of Refraction: 1.903; (14)Molar Refractivity: 58.616 cm3; (15)Molar Volume: 125.688 cm3; (16)Polarizability: 23.237×10-24cm3; (17)Surface Tension: 107.137 dyne/cm.

You can still convert the following datas into molecular structure: 
1.SMILES: Ic1nc(I)nc2ncnc12
2.InChI: InChI=1/C5H2I2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)
3.InChIKey: HNCFPTJMAVGCEI-UHFFFAOYAQ