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Basic Information
CAS No.: 1034301-08-0
Name: 3',5'-di-o-p-chlorobenzoyl-2-deoxy-5-azacytosine
Article Data: 6
Molecular Structure:
Molecular Structure of 1034301-08-0 (3',5'-di-o-p-chlorobenzoyl-2-deoxy-5-azacytosine)
Formula: C22H18Cl2N4O6
Molecular Weight: 505.314
Synonyms: 4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-beta-D-ribofuranosyl]-1
EINECS: 816-382-4
Density: 1.58 g/cm3
Boiling Point: 642.6 °C at 760 mmHg
Flash Point: 342.4 °C
PSA: 136.62000
LogP: 3.23980
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  • 3',5'-Bis-O-(4-chlorobenzoyl)-2-deoxy-5-azacytosine cas 1034301-08-0

  • Casno:

    1034301-08-0

    3',5'-Bis-O-(4-chlorobenzoyl)-2-deoxy-5-azacytosine cas 1034301-08-0

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    3',5'-Bis-O-(4-chlorobenzoyl)-2-deoxy-5-azacytosine cas 1034301-08-0Appearance: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

This chemical is called 3',5'-Bis-O-(4-chlorobenzoyl)-2-deoxy-5-azacytosine, and it's also named as 4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-beta-D-ribofuranosyl]-1,3,5-triazin-2(1H)-one. With the molecular formula of C22H18Cl2N4O6, its molecular weight is 505.31. The CAS registry number of this chemical is 1034301-08-0.

Other characteristics of the 3',5'-Bis-O-(4-chlorobenzoyl)-2-deoxy-5-azacytosine can be summarised as followings: (1)ACD/LogP: 3.85; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 10; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 110.1 Å2; (7)Index of Refraction: 1.687; (8)Molar Refractivity: 121.64 cm3; (9)Molar Volume: 319.2 cm3; (10)Polarizability: 48.22×10-24cm3; (11)Surface Tension: 62.5 dyne/cm; (12)Density: 1.58 g/cm3; (13)Flash Point: 342.4 °C; (14)Enthalpy of Vaporization: 94.83 kJ/mol; (15)Boiling Point: 642.6 °C at 760 mmHg; (16)Vapour Pressure: 2.1E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Clc1ccc(cc1)C(=O)OCC4OC(N/2C(=O)/N=C(\N=C\2)N)CC4OC(=O)c3ccc(Cl)cc3
2.InChI: InChI=1/C22H18Cl2N4O6/c23-14-5-1-12(2-6-14)19(29)32-10-17-16(34-20(30)13-3-7-15(24)8-4-13)9-18(33-17)28-11-26-21(25)27-22(28)31/h1-8,11,16-18H,9-10H2,(H2,25,27,31)
3.InChIKey: TWEZWUPSUOJPMB-UHFFFAOYAT