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232-89-3

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Basic Information
CAS No.: 232-89-3
Name: 3H-Benz[e]indazole
Article Data: 2
Molecular Structure:
Molecular Structure of 232-89-3 (3H-Benz[e]indazole)
Formula: C11H8N2
Molecular Weight: 168.198
Synonyms: 3H-BENZ[E]INDAZOLE;3H-Benzo[e]indazole
Density: 1.302 g/cm3
Boiling Point: 386.913 °C at 760 mmHg
Flash Point: 188.474 °C
PSA: 28.68000
LogP: 2.71610
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Specification

The 3H-Benz[e]indazole, with the CAS registry number 232-89-3, has molecular formula C11H8N2. In addition, this chemical's molecular weight is 168.1946. Its systematic name is called 3H-benzo[e]indazole.

Physical properties of 3H-Benz[e]indazole: (1)ACD/LogP: 2.95; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 123; (5)ACD/BCF (pH 7.4): 123; (6)ACD/KOC (pH 5.5): 1088; (7)ACD/KOC (pH 7.4): 1088; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Index of Refraction: 1.785; (11)Molar Refractivity: 54.462 cm3; (12)Molar Volume: 129.211 cm3; (13)Surface Tension: 66.291 dyne/cm; (14)Density: 1.302 g/cm3; (15)Flash Point: 188.474 °C; (16)Enthalpy of Vaporization: 61.104 kJ/mol; (17)Boiling Point: 386.913 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc3c1ccc2nncc23
(2)InChI: InChI=1/C11H8N2/c1-2-4-9-8(3-1)5-6-11-10(9)7-12-13-11/h1-7H,(H,12,13)
(3)InChIKey: CKOKBDZFYHFYPZ-UHFFFAOYAR