Basic Information | Post buying leads | Suppliers |
Name |
8-Chlorohypoxanthine |
EINECS | N/A |
CAS No. | 22712-29-4 | Density | 2.09 g/cm3 |
PSA | 74.43000 | LogP | 0.29960 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H3ClN4O | Boiling Point | 281.5 °C at 760 mmHg |
Molecular Weight | 170.56 | Flash Point | 124 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
8-Chloro-5,9-dihydropurin-6-one;8-Chloro-3,7-dihydropurin-6-one; |
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