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67193-90-2

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Basic Information
CAS No.: 67193-90-2
Name: 1-Bromoperfluorododecane
Molecular Structure:
Molecular Structure of 67193-90-2 (1-Bromoperfluorododecane)
Formula: C12BrF25
Molecular Weight: 698.996
Synonyms: 1-Bromoperfluorododecane;
Density: 1.856 g/cm3
Melting Point: 87-88 °C
Boiling Point: 221.8 °C at 760 mmHg
Flash Point: 87.9 °C
PSA: 0.00000
LogP: 8.88940
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Specification

The Perfluorododecyl bromide with the cas number 67193-90-2 is also called 1-Bromoperfluorododecane. The systematic name is 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane. Its molecular formula is C12BrF25.

The properties of the chemical are: (1)ACD/LogP: 12.18; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 12.18; (4)ACD/LogD (pH 7.4): 12.18; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.293; (13)Molar Refractivity: 69.05 cm3; (14)Molar Volume: 376.5 cm3; (15)Polarizability: 27.37×10-24cm3; (16)Surface Tension: 14.9 dyne/cm; (17)Enthalpy of Vaporization: 43.96 kJ/mol; (18)Vapour Pressure: 0.156 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(Br)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C12BrF25/c13-11(34,35)9(30,31)7(26,27)5(22,23)3(18,19)1(14,15)2(16,17)4(20,21)6(24,25)8(28,29)10(32,33)12(36,37)38
(3)InChIKey: XLDCRDVOTVYYPR-UHFFFAOYAZ