Name: 6-Fluoro-2-methylindanone
SKU: 37794-19-7

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Basic Information

Molecular Structure:
CAS No.:	37794-19-7
Name:	6-Fluoro-2-methylindanone
Article Data:	29

Formula:	C₁₀H₉FO
Molecular Weight:	164.179
Synonyms:	1-Indanone,6-fluoro-2-methyl-;6-Fluoro-2-methyl-1-indanone;6-Fluoro-2-methylindanone;6-Fluor-2-methyl-2,3-dihydro-1H-inden-1-on;6-Fluoro-2-methyl-1-indanone;6-Fluor-2-methylindan-1-on;
EINECS:	609-478-0
Density:	1.179 g/cm₃
Boiling Point:	240.9 °C at 760 mmHg
Flash Point:	95.2 °C
Solubility:	307.4mg/L at 25℃
PSA:	17.07000
LogP:	2.20060

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Specification

The IUPAC name of this chemical is 6-fluoro-2-methyl-2,3-dihydroinden-1-one. With the CAS registry number 37794-19-7, it is also named as 6-Fluoro-2-methylindanone. In addition, the molecular formula is C₁₀H₉FO and the molecular weight is 164.18. It belongs to the class of Pharmaceutical Intermediates.

Physical properties about 6-Fluoro-2-methylindanone are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 26; (6)ACD/BCF (pH 7.4): 26; (7)ACD/KOC (pH 5.5): 359; (8)ACD/KOC (pH 7.4): 359; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 43.259 cm³; (15)Molar Volume: 139.223 cm³; (16)Polarizability: 17.149 ×10^-24cm³; (17)Surface Tension: 36.869 dyne/cm; (18)Density: 1.179 g/cm³; (19)Flash Point: 95.245 °C; (20)Enthalpy of Vaporization: 47.779 kJ/mol; (21)Boiling Point: 240.853 °C at 760 mmHg; (22)Vapour Pressure: 0.037 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1Cc2ccc(cc2C1=O)F
(2)InChI: InChI=1/C10H9FO/c1-6-4-7-2-3-8(11)5-9(7)10(6)12/h2-3,5-6H,4H2,1H3
(3)InChIKey: BABIQLUCYVRCIX-UHFFFAOYAL