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2104-68-9

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Basic Information
CAS No.: 2104-68-9
Name: 8-CHLOROGUANOSINE
Molecular Structure:
Molecular Structure of 2104-68-9 (8-CHLOROGUANOSINE)
Formula: C10H12ClN5O5
Molecular Weight: 317.689
Synonyms: 8-Chloroguanosine;
Density: 2.35 g/cm3
Boiling Point: 764.7 °C at 760 mmHg
Flash Point: 416.3 °C
PSA: 159.51000
LogP: -1.45210
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Specification

This chemical is called Guanosine, 8-chloro-, and its systematic name is 8-Chloroguanosine. With the molecular formula of C10H12ClN5O5, its molecular weight is 317.69. The CAS registry number of the chemical is 2104-68-9. 

Other characteristics of Guanosine, 8-chloro- can be summarised as followings: (1)ACD/LogP: -0.24; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -0.24; (4)ACD/LogD (pH 7.4): -0.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.57; (8)ACD/KOC (pH 7.4): 17.57; (9)#H bond acceptors: 10; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 90.65 Å2; (13)Index of Refraction: 1.956; (14)Molar Refractivity: 65.41 cm3; (15)Molar Volume: 134.7 cm3; (16)Polarizability: 25.93×10-24cm3; (17)Surface Tension: 121.4 dyne/cm; (18)Density: 2.35 g/cm3; (19)Flash Point: 416.3 °C; (20)Enthalpy of Vaporization: 116.83 kJ/mol; (21)Boiling Point: 764.7 °C at 760 mmHg; (22)Vapour Pressure: 1.38E-24 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C3/N=C(/N)Nc1c3nc(Cl)n1[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)CO
2.InChI: InChI=1/C10H12ClN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4-,5-,8-/m1/s1
3.InChIKey: KZEYUNCYYKKCIX-UMMCILCDBH
4.Std. InChI: InChI=1S/C10H12ClN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4-,5-,8-/m1/s1
5.Std. InChIKey: KZEYUNCYYKKCIX-UMMCILCDSA-N