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1H-Indazole, 5-phenyl-

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Name

1H-Indazole, 5-phenyl-

EINECS
CAS No. 185316-58-9 Density 1.211 g/cm3
Solubility Melting Point
Formula C13H10N2 Boiling Point 405.131 °C at 760 mmHg
Molecular Weight 194.2319 Flash Point 192.137 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 185316-58-9 (1H-Indazole, 5-phenyl-) Hazard Symbols
Synonyms

5-Phenyl-1H-indazole;

 

1H-Indazole, 5-phenyl- Specification

The 1H-Indazole, 5-phenyl-, with the CAS registry number 185316-58-9, is also known as 5-Phenyl-1H-indazole. This chemical's molecular formula is C13H10N2 and molecular weight is 194.2319. What's more, its systematic name is called 5-Phenyl-1H-indazole.

Physical properties about 1H-Indazole, 5-phenyl- are: (1)ACD/LogP: 3.33; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 308; (6)ACD/BCF (pH 7.4): 308; (7)ACD/KOC (pH 5.5): 2104; (8)ACD/KOC (pH 7.4): 2104; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 28.68 Å2; (13)Index of Refraction: 1.689; (14)Molar Refractivity: 61.212 cm3; (15)Molar Volume: 160.38 cm3; (16)Surface Tension: 55.739 dyne/cm; (17)Density: 1.211 g/cm3; (18)Flash Point: 192.137 °C; (19)Enthalpy of Vaporization: 63.112 kJ/mol; (20)Boiling Point: 405.131 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(ccc2nncc12)c3ccccc3
(2) InChI: InChI=1/C13H10N2/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)9-14-15-13/h1-9H,(H,14,15)
(3) InChIKey: JQHTYMOOIFVIJV-UHFFFAOYAU

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