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406923-64-6

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Basic Information
CAS No.: 406923-64-6
Name: Isoquinoline, 5-fluoro-1,2,3,4-tetrahydro- (9CI)
Article Data: 7
Molecular Structure:
Molecular Structure of 406923-64-6 (Isoquinoline, 5-fluoro-1,2,3,4-tetrahydro- (9CI))
Formula: C9H10FN
Molecular Weight: 151.184
Synonyms: 5-Fluoro-1,2,3,4-tetrahydroisoquinoline;
Density: 1.107 g/cm3
Boiling Point: 234.9 °C at 760 mmHg
Flash Point: 95.9 °C
PSA: 12.03000
LogP: 1.80020
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Specification

The chemical with CAS registry number of 406923-64-6 is known as Isoquinoline,5-fluoro-1,2,3,4-tetrahydro-. The systematic name is 5-Fluoro-1,2,3,4-tetrahydroisoquinoline. It belongs to product categories of Halide. In addition, the formula is C9H10FN and the molecular weight is 151.18.

Physical properties about Isoquinoline,5-fluoro-1,2,3,4-tetrahydro- are: (1)ACD/LogP: 1.46; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 3.63; (6)#H bond acceptors: 1; (7) #H bond donors: 1; (8)Index of Refraction: 1.524; (9)Molar Refractivity: 41.76 cm3; (10)Molar Volume: 136.5 cm3; (11)Surface Tension: 35.5 dyne/cm; (12)Density: 1.107 g/cm3; (13)Flash Point: 95.9 °C; (14)Enthalpy of Vaporization: 47.17 kJ/mol; (15)Boiling Point: 234.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0515 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: Fc2cccc1CNCCc12
2. InChI: InChI=1/C9H10FN/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-3,11H,4-6H2
3. InChIKey: HPLVZHZIUJGIDQ-UHFFFAOYAM
4. Std. InChI: InChI=1S/C9H10FN/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-3,11H,4-6H2
5. Std. InChIKey: HPLVZHZIUJGIDQ-UHFFFAOYSA-N