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CAS No.: | 410086-25-8 |
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Name: | 1(2H)-Isoquinolinone,5-fluoro-(9CI) |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H6FNO |
Molecular Weight: | 163.151143 |
Synonyms: | 1(2H)-Isoquinolinone,5-fluoro-(9CI); |
Density: | 1.292 g/cm3 |
Boiling Point: | 387.162 °C at 760 mmHg |
Flash Point: | 187.949 °C |
PSA: | 33.12000 |
LogP: | 2.07950 |
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The CAS register number of 5-Fluoroisoquinolin-1(2H)-one is 410086-25-8. It also can be called as 1(2H)-Isoquinolinone,5-fluoro-(9CI). The molecular formula about this chemical is C9H6FNO and the molecular weight is 163.151143. It belongs to the following product category which includes Halide.
Physical properties about 5-Fluoroisoquinolin-1(2H)-one are: (1)ACD/LogP: 3.43; (2)ACD/BCF (pH 5.5): 5; (3)ACD/BCF (pH 7.4): 5; (4)ACD/KOC (pH 5.5): 106; (5)ACD/KOC (pH 7.4): 106; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)Polar Surface Area: 29.1 Å2; (9)Index of Refraction: 1.571; (10)Molar Refractivity: 41.503 cm3; (11)Molar Volume: 126.296 cm3; (12)Polarizability: 16.453x10-24cm3; (13)Surface Tension: 41.678 dyne/cm; (14)Density: 1.292 g/cm3; (15)Flash Point: 187.949 °C; (16)Enthalpy of Vaporization: 63.619 kJ/mol; (17)Boiling Point: 387.162 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc2cccc1c2\C=C/NC1=O
(2)InChI: InChI=1/C9H6FNO/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,(H,11,12)
(3)InChIKey: OIWXBOQZFZCUPA-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H6FNO/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,(H,11,12)
(5)Std. InChIKey: OIWXBOQZFZCUPA-UHFFFAOYSA-N