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147330-32-3

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Basic Information
CAS No.: 147330-32-3
Name: 5-BIPHENYL-2-YL-2H-TETRAZOLE
Molecular Structure:
Molecular Structure of 147330-32-3 (5-BIPHENYL-2-YL-2H-TETRAZOLE)
Formula: C13H10N4
Molecular Weight: 222.25
Synonyms: 5-Biphenyl-2-yl-2H-tetrazole;
Density: 1.248 g/cm3
Boiling Point: 454.3 °C at 760 mmHg
Flash Point: 215.9 °C
PSA: 54.46000
LogP: 2.53370
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Specification

The 2H-Tetrazole,5-[1,1'-biphenyl]-2-yl-, with the CAS registry number of 147330-32-3, is also known as 5-Biphenyl-2-yl-2H-tetrazole. Its molecular formula is C13H10N4 and molecular weight is 222.25. What's more, its IUPAC name is 5-(2-Phenylphenyl)-2H-tetrazole.

Physical properties about the 2H-Tetrazole,5-[1,1'-biphenyl]-2-yl- are: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 5.16; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 50.64; (8)ACD/KOC (pH 7.4): 8.99; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.46 Å2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 64.14 cm3; (15)Molar Volume: 177.9 cm3; (16)Surface Tension: 60.3 dyne/cm; (17)Density: 1.248 g/cm3; (18)Flash Point: 215.9 °C; (19)Enthalpy of Vaporization: 71.38 kJ/mol; (20)Boiling Point: 454.3 °C at 760 mmHg; (21)Vapour Pressure: 1.93E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(c(cc1)c2nnnn2)c3ccccc3
(2) InChI: InChI=1/C13H10N4/c1-2-6-10(7-3-1)11-8-4-5-9-12(11)13-14-16-17-15-13/h1-9H,(H,14,15,16,17)
(3) InChIKey: HLAYLOOJBAJIRU-UHFFFAOYAQ