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57715-76-1

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Basic Information
CAS No.: 57715-76-1
Name: 2-(4-Chloro-3-methylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione
Article Data: 1
Molecular Structure:
Molecular Structure of 57715-76-1 (2-(4-Chloro-3-methylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione)
Formula: C10H8ClN3O2
Molecular Weight: 237.645
Synonyms: 2-(4-chloro-3-methylphenyl)-1,2,4-Triazine-3,5(2H,4H)-dione;LogP
Density: 1.48 g/cm3
Melting Point: 210-212℃
PSA: 68.01000
LogP: 1.29490
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Specification

The 2-(4-Chloro-3-methylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione, with CAS registry number 57715-76-1, has the systematic name of 2-(4-chloro-3-methyl-phenyl)-1,2,4-triazine-3,5-dione. And the chemical formula of this chemical is C10H8ClN3O2.

Physical properties of 2-(4-Chloro-3-methylphenyl)-1,2,4-triazine-3,5(2H,4H)-dione: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.55; (4)#H bond acceptors: 5; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 61.77 Å2; (8)Index of Refraction: 1.67; (9)Molar Refractivity: 59.71 cm3; (10)Molar Volume: 159.8 cm3; (11)Polarizability: 23.67×10-24cm3; (12)Surface Tension: 55.9 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(ccc1Cl)n2c(=O)[nH]c(=O)cn2
(2)InChI: InChI=1/C10H8ClN3O2/c1-6-4-7(2-3-8(6)11)14-10(16)13-9(15)5-12-14/h2-5H,1H3,(H,13,15,16)
(3)InChIKey: WFSCGRSYVANZRL-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H8ClN3O2/c1-6-4-7(2-3-8(6)11)14-10(16)13-9(15)5-12-14/h2-5H,1H3,(H,13,15,16)
(5)Std. InChIKey: WFSCGRSYVANZRL-UHFFFAOYSA-N