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889945-79-3

Basic Information
CAS No.: 889945-79-3
Name: 4-Chloroimidazo[1,5-f][1,2,4]triazine
Molecular Structure:
Molecular Structure of 889945-79-3 (4-Chloroimidazo[1,5-f][1,2,4]triazine)
Formula: C5H3ClN4
Molecular Weight: 154.559
Synonyms: 4-chloroimidazo[1,5-f][1,2,4]triazine;4-CHLOROIMIDAZO[5,1-F][1,2,4]TRIAZIN
Density: 1.716g/cm3
PSA: 43.08000
LogP: 0.77770
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Specification

The 4-Chloroimidazo[1,5-f][1,2,4]triazine, with CAS registry number 889945-79-3, has the systematic name of 4-chloroimidazo[5,1-f][1,2,4]triazine. Besides this, it is also called imidazo[5,1-f][1,2,4]triazine, 4-chloro-. And the chemical formula of this chemical is C5H3ClN4.

Physical properties of 4-Chloroimidazo[1,5-f][1,2,4]triazine: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 17.241; (5)ACD/KOC (pH 7.4): 17.241; (6)#H bond acceptors: 4; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 43.08 Å2; (10)Index of Refraction: 1.792; (11)Molar Refractivity: 38.204 cm3; (12)Molar Volume: 90.069 cm3; (13)Polarizability: 15.145×10-24cm3; (14)Surface Tension: 69.494 dyne/cm; (15)Density: 1.716 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c2c(ncnn2cn1)Cl
(2)InChI: InChI=1/C5H3ClN4/c6-5-4-1-7-3-10(4)9-2-8-5/h1-3H
(3)InChIKey: YQKLYTZVBRYCJW-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C5H3ClN4/c6-5-4-1-7-3-10(4)9-2-8-5/h1-3H
(5)Std. InChIKey: YQKLYTZVBRYCJW-UHFFFAOYSA-N