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CAS No.: | 76537-23-0 |
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Name: | 6-Chloro-imidazo[1,2-a]pyrazine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H4ClN3 |
Molecular Weight: | 153.571 |
Synonyms: | 6-chloroimidazo[1,2-a]pyrazine;imidazo[1,2-a]pyrazine, 6-chloro-;6-Chloro-imidazo[1,2-a]pyrazine; |
Density: | 1.51 g/cm3 |
Melting Point: | 137-138℃ |
PSA: | 30.19000 |
LogP: | 1.38270 |
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The 6-Chloroimidazo[1,2-a]pyrazine, with the CAS registry number 76537-23-0, has the systematic name of 6-chloroimidazo[1,2-a]pyrazine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C6H4ClN3.
The characteristics of 6-Chloroimidazo[1,2-a]pyrazine are as followings: (1)ACD/LogP: 0.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.58; (4)ACD/LogD (pH 7.4): 0.58; (5)ACD/BCF (pH 5.5): 1.62; (6)ACD/BCF (pH 7.4): 1.63; (7)ACD/KOC (pH 5.5): 49.19; (8)ACD/KOC (pH 7.4): 49.27; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.19Å2; (13)Index of Refraction: 1.712; (14)Molar Refractivity: 39.75 cm3; (15)Molar Volume: 101.4 cm3; (16)Polarizability: 15.76×10-24cm3; (17)Surface Tension: 57.1 dyne/cm; (18)Density: 1.51 g/cm3.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ncc2nccn2c1
(2)InChI: InChI=1/C6H4ClN3/c7-5-4-10-2-1-8-6(10)3-9-5/h1-4H
(3)InChIKey: PTWXEVLXAHFMKK-UHFFFAOYAP