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867165-15-9

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Basic Information
CAS No.: 867165-15-9
Name: 8-chloro-3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazine
Article Data: 5
Molecular Structure:
Molecular Structure of 867165-15-9 (8-chloro-3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazine)
Formula: C10H9ClIN3
Molecular Weight: 333.559
Synonyms: S14-0269;8-Chloro-3-cyclobutyl-1-iodo-imidazo[1,5-a]pyrazine;S14-0328;
Density: 2.149 g/cm3
PSA: 30.19000
LogP: 3.25480
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Specification

The cas number of 8-Chloro-3-cyclobutyl-1-iodo-imidazo[1,5-a]pyrazine is 867165-15-9. Its molecular formula is C10H9ClIN3. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/LogD (pH 7.4): 4.15; (5)ACD/BCF (pH 5.5): 839.479; (6)ACD/BCF (pH 7.4): 839.611; (7)ACD/KOC (pH 5.5): 4311.094; (8)ACD/KOC (pH 7.4): 4311.771; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 30.19 Å2; (13)Index of Refraction: 1.833; (14)Molar Refractivity: 68.298 cm3; (15)Molar Volume: 155.184 cm3; (16)Polarizability: 27.076×10-24cm3; (17)Surface Tension: 65.389 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cn2c(c(n1)Cl)c(nc2C3CCC3)I
(2)InChI: InChI=1/C10H9ClIN3/c11-8-7-9(12)14-10(6-2-1-3-6)15(7)5-4-13-8/h4-6H,1-3H2
(3)InChIKey: HITZGGXWMCCAIY-UHFFFAOYAR