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230301-83-4

Basic Information
CAS No.: 230301-83-4
Name: 5-FLOUORO-3,4-DIHYDRO-1(2H)-ISOQUINOLINONE
Article Data: 7
Molecular Structure:
Molecular Structure of 230301-83-4 (5-FLOUORO-3,4-DIHYDRO-1(2H)-ISOQUINOLINONE)
Formula: C9H8FNO
Molecular Weight: 165.167
Synonyms: 5-Flouoro-3,4-dihydro-1(2h)-isoquinolinone;
Density: 1.241 g/cm3
Boiling Point: 398.8 °C at 760 mmHg
Flash Point: 195 °C
PSA: 29.10000
LogP: 1.44040
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Specification

The CAS register number of 1(2H)-Isoquinolinone,5-fluoro-3,4-dihydro- is 230301-83-4. It also can be called as 5-Flouoro-3,4-dihydro-1(2h)-isoquinolinone and the systematic name about this chemical is 5-fluoro-3,4-dihydroisoquinolin-1(2H)-one. The molecular formula about this chemical is C9H8FNO and the molecular weight is 165.06.

Physical properties about 1(2H)-Isoquinolinone,5-fluoro-3,4-dihydro- are: (1)ACD/LogP: 1.09; (2)ACD/LogD (pH 5.5): 1.09; (3)ACD/LogD (pH 7.4): 1.09; (4)ACD/BCF (pH 5.5): 3.98; (5)ACD/BCF (pH 7.4): 3.98; (6)ACD/KOC (pH 5.5): 93.6; (7)ACD/KOC (pH 7.4): 93.6; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 29.1 Å2; (11)Index of Refraction: 1.542; (12)Molar Refractivity: 41.89 cm3; (13)Molar Volume: 133 cm3; (14)Polarizability: 16.61x10-24cm3; (15)Surface Tension: 39.4 dyne/cm; (16)Density: 1.241 g/cm3; (17)Flash Point: 195 °C; (18)Enthalpy of Vaporization: 64.94 kJ/mol; (19)Boiling Point: 398.8 °C at 760 mmHg; (20)Vapour Pressure: 1.44E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2NCCc1c2cccc1F
(2)InChI: InChI=1/C9H8FNO/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-3H,4-5H2,(H,11,12)
(3)InChIKey: ZZGXLZYBHQFPQV-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H8FNO/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-3H,4-5H2,(H,11,12)
(5)Std. InChIKey: ZZGXLZYBHQFPQV-UHFFFAOYSA-N