Name: 5-Fluoro-4-chromanone
SKU: 188826-32-6

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Basic Information

Molecular Structure:
CAS No.:	188826-32-6
Name:	5-Fluoro-4-chromanone
Article Data:	3

Formula:	C₉H₇FO₂
Molecular Weight:	166.152
Synonyms:	5-Fluoro-4-chromanone;
Density:	1.298 g/cm³
Boiling Point:	279.991 °C at 760 mmHg
Flash Point:	119.357 °C
PSA:	26.30000
LogP:	1.79090

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Specification

The 4H-1-Benzopyran-4-one,5-fluoro-2,3-dihydro-, with the CAS registry number of 188826-32-6, is also known as 5-Fluoro-4-chromanone. Its molecular formula is C₉H₇FO₂ and molecular weight is 166.1490832. What's more, its systematic name is 5-Fluorochroman-4-one.

Physical properties about the 4H-1-Benzopyran-4-one,5-fluoro-2,3-dihydro- are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.456; (4)ACD/LogD (pH 7.4): 1.456; (5)ACD/BCF (pH 5.5): 7.528; (6)ACD/BCF (pH 7.4): 7.528; (7)ACD/KOC (pH 5.5): 147.625; (8)ACD/KOC (pH 7.4): 147.625; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 40.157 cm³; (15)Molar Volume: 128.013 cm³; (16)Surface Tension: 41.739 dyne/cm; (17)Density: 1.298 g/cm³; (18)Flash Point: 119.357 °C; (19)Enthalpy of Vaporization: 51.87 kJ/mol; (20)Boiling Point: 279.991 °C at 760 mmHg; (21)Vapour Pressure: 0.004 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(c(c1)F)C(=O)CCO2
(2) InChI: InChI=1/C9H7FO2/c10-6-2-1-3-8-9(6)7(11)4-5-12-8/h1-3H,4-5H2
(3) InChIKey: AVJVYZBPSAQLLA-UHFFFAOYAZ