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867166-09-4

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Basic Information
CAS No.: 867166-09-4
Name: 8-chloro-3-cyclobutylimidazo[1,5-a]pyrazine
Article Data: 3
Molecular Structure:
Molecular Structure of 867166-09-4 (8-chloro-3-cyclobutylimidazo[1,5-a]pyrazine)
Formula: C10H10ClN3
Molecular Weight: 207.662
Synonyms: S14-0268;8-chloro-3-cyclobutyl-imidazo[1,5-a]pyrazine;8-chloranyl-3-cyclobutyl-imidazo[1,5-a]pyrazine;
Density: 1.51 g/cm3
PSA: 30.19000
LogP: 2.65020
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Specification

The cas number of the 8-Chloro-3-cyclobutylimidazo[1,5-a]pyrazine is 867166-09-4. Its molecular formula is C10H10ClN3. 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: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.982; (4)ACD/LogD (pH 7.4): 3.005; (5)ACD/BCF (pH 5.5): 107.406; (6)ACD/BCF (pH 7.4): 113.252; (7)ACD/KOC (pH 5.5): 974.524; (8)ACD/KOC (pH 7.4): 1027.567; (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: 1.743; (14)Molar Refractivity: 55.646 cm3; (15)Molar Volume: 137.532 cm3; (16)Polarizability: 22.06×10-24cm3; (17)Surface Tension: 57.394 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cn2c(cnc2C3CCC3)c(n1)Cl
(2)InChI: InChI=1/C10H10ClN3/c11-9-8-6-13-10(7-2-1-3-7)14(8)5-4-12-9/h4-7H,1-3H2
(3)InChIKey: QKTHPZLWERNYEN-UHFFFAOYAH