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1928-77-4

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Basic Information
CAS No.: 1928-77-4
Name: 6-CHLORO-7-BENZYLPURINE
Article Data: 17
Molecular Structure:
Molecular Structure of 1928-77-4 (6-CHLORO-7-BENZYLPURINE)
Formula: C12H9ClN4
Molecular Weight: 244.683
Synonyms: Purine,7-benzyl-6-chloro- (6CI,7CI,8CI);7-Benzyl-6-chloropurine;NSC 25717;
Density: 1.4 g/cm3
Boiling Point: 441 °C at 760 mmHg
Flash Point: 220.5 °C
Appearance: white solid
PSA: 43.60000
LogP: 2.52800
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Specification

The 7H-Purine,6-chloro-7-(phenylmethyl)-, with the CAS registry number 1928-77-4, is also known as 7-Benzyl-6-chloropurine. It belongs to the product categories of Heterocyclic Compounds; Bases & Related Reagents; Heterocycles; Nucleotides. This chemical's molecular formula is C12H9ClN4 and molecular weight is 244.68. Its systematic name is called 7-benzyl-6-chloro-7H-purine. This chemical is white solid which can be used as a useful intermediate in the synthesis of 1-substituted adenines. 

Physical properties of 7H-Purine,6-chloro-7-(phenylmethyl)-: (1)ACD/LogP: 1.99; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 2; (4)Index of Refraction: 1.706; (5)Molar Refractivity: 67.91 cm3; (6)Molar Volume: 174.5 cm3; (7)Surface Tension: 55.1 dyne/cm; (8)Density: 1.4 g/cm3; (9)Flash Point: 220.5 °C; (10)Enthalpy of Vaporization: 69.82 kJ/mol; (11)Boiling Point: 441 °C at 760 mmHg; (12)Vapour Pressure: 5.64E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ncnc2ncn(c12)Cc3ccccc3
(2)InChI: InChI=1/C12H9ClN4/c13-11-10-12(15-7-14-11)16-8-17(10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
(3)InChIKey: QOJVQOWYMWBZNC-UHFFFAOYAG