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5686-94-2

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Basic Information
CAS No.: 5686-94-2
Name: 2,3-DIHYDRO-1H-INDAZOLE
Molecular Structure:
Molecular Structure of 5686-94-2 (2,3-DIHYDRO-1H-INDAZOLE)
Formula: C7H8N2
Molecular Weight: 120.1518
Synonyms: Indazoline(8CI);2H-Indazole, 1,3-dihydro-;3H-Indazole, 1,2-dihydro-;
Density: 1.086 g/cm3
Boiling Point: 75.011 °C at 760 mmHg
Flash Point: -18.568 °C
PSA: 24.06000
LogP: 1.58350
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Specification

The 1H-Indazole,2,3-dihydro-, with CAS registry number 5686-94-2, has the systematic name of 2,3-dihydro-1H-indazole. Besides this, it is also called 3H-Indazole, 1,2-dihydro-. Its molecular weight is 120.1518. And the chemical formula of this chemical is C7H8N2.

Physical properties of 1H-Indazole,2,3-dihydro-: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 10; (8)ACD/KOC (pH 7.4): 69; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 24.06 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 35.9 cm3; (15)Molar Volume: 110.591 cm3; (16)Polarizability: 14.232×10-24cm3; (17)Surface Tension: 40.536 dyne/cm; (18)Density: 1.086 g/cm3; (19)Flash Point: -18.568 °C; (20)Enthalpy of Vaporization: 31.619 kJ/mol; (21)Boiling Point: 75.011 °C at 760 mmHg; (22)Vapour Pressure: 106.89 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc2NNCc12
(2)InChI: InChI=1/C7H8N2/c1-2-4-7-6(3-1)5-8-9-7/h1-4,8-9H,5H2
(3)InChIKey: QDKGOMZIPXGDDJ-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H8N2/c1-2-4-7-6(3-1)5-8-9-7/h1-4,8-9H,5H2
(5)Std. InChIKey: QDKGOMZIPXGDDJ-UHFFFAOYSA-N