CAS No.1202249-72-6,1-Octanone,1-(4,6-dibroMo-3-fluorothieno[3,4-b]thien-2-yl Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1202249-72-6
Name:	1-Octanone,1-(4,6-dibroMo-3-fluorothieno[3,4-b]thien-2-yl
Article Data:	2

Formula:	C₁₄H₁₅Br₂FOS₂
Molecular Weight:	442.20
Synonyms:	1-(3-Fluoro-4,6-dibromothieno[3,4-b]thiophen-2-yl)octan-1-one;
Density:	1.6±0.1 g/cm³
Boiling Point:	464.7±40.0 °C at 760 mmHg
Flash Point:	234.8±27.3 °C
PSA:	73.55000
LogP:	7.17010

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Specification

The 1-(4,6-Dibromo-3-fluorothieno[3,4-b]thiophen-2-yl)-1-octanone, with the CAS registry number 1202249-72-6, is also known as 1-(3-Fluoro-4,6-dibromothieno[3,4-b]thiophen-2-yl)octan-1-one. This chemical's molecular formula is C₁₄H₁₅Br₂FOS₂ and molecular weight is 442.20. What's more, its systematic name is 1-(4,6-Dibromo-3-fluorothieno[3,4-b]thiophen-2-yl)-1-octanone.

Physical properties of 1-(4,6-Dibromo-3-fluorothieno[3,4-b]thiophen-2-yl)-1-octanone are: (1)ACD/LogP: 7.80±1.22 # of Rule of 5 Violations: 1; (2)ACD/LogD (pH 5.5): 7.80; (3)ACD/LogD (pH 7.4): 7.80; (4)ACD/BCF (pH 5.5): 502634.70; (5)ACD/BCF (pH 7.4): 502634.70; (6)ACD/KOC (pH 5.5): 419303.10; (7)ACD/KOC (pH 7.4): 419303.10; (8)#H bond acceptors: 1; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 73.55 Å²; (12)Index of Refraction: 1.615; (13)Molar Refractivity: 94.1±0.3 cm³; (14)Molar Volume: 269.7±3.0 cm³; (15)Polarizability: 37.3±0.5×10^-24cm³; (16)Surface Tension: 47.9±3.0 dyne/cm; (17)Density: 1.6±0.1 g/cm³; (18)Flash Point: 234.8±27.3 °C; (19)Enthalpy of Vaporization: 72.6±3.0 kJ/mol; (20)Boiling Point: 464.7±40.0 °C at 760 mmHg; (21)Vapour Pressure: 0.0±1.1 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCC(=O)c1c(c2c(s1)c(sc2Br)Br)F
(2)Std. InChI: InChI=1S/C14H15Br2FOS2/c1-2-3-4-5-6-7-8(18)11-10(17)9-12(19-11)14(16)20-13(9)15/h2-7H2,1H3
(3)Std. InChIKey: RMHZWBWLELCRNX-UHFFFAOYSA-N