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22712-29-4

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Basic Information
CAS No.: 22712-29-4
Name: 8-Chlorohypoxanthine
Molecular Structure:
Molecular Structure of 22712-29-4 (8-Chlorohypoxanthine)
Formula: C5H3ClN4O
Molecular Weight: 170.56
Synonyms: 8-Chloro-5,9-dihydropurin-6-one;8-Chloro-3,7-dihydropurin-6-one;
Density: 2.09 g/cm3
Boiling Point: 281.5 °C at 760 mmHg
Flash Point: 124 °C
PSA: 74.43000
LogP: 0.29960
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    8-Chlorohypoxanthine cas 22712-29-4Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The 8-Chlorohypoxanthine, with the CAS registry number 22712-29-4, is also known as 8-Chloro-5,9-dihydro-6H-purin-6-one. This chemical's molecular formula is C5H3ClN4O and molecular weight is 170.56. What's more, its IUPAC name is 8-Chloro-3,7-dihydropurin-6-one.

Physical properties of 8-Chlorohypoxanthine are: (1)ACD/LogP: -0.07; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 57.39 Å2; (7)Index of Refraction: 1.91; (8)Molar Refractivity: 38.15 cm3; (9)Molar Volume: 81.3 cm3; (10)Polarizability: 15.12×10-24 cm3; (11)Surface Tension: 91.1 dyne/cm; (12)Density: 2.09 g/cm3; (13)Flash Point: 124 °C; (14)Enthalpy of Vaporization: 52.03 kJ/mol; (15)Boiling Point: 281.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00356 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=NC(=O)C2=C(N1)N=C(N2)Cl
(2)InChI: InChI=1S/C5H3ClN4O/c6-5-9-2-3(10-5)7-1-8-4(2)11/h1H,(H2,7,8,9,10,11)
(3)InChIKey: UBAQSWBFKWMYJK-UHFFFAOYSA-N