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446883-84-7

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Basic Information
CAS No.: 446883-84-7
Name: Benzenesulfonyl chloride, 4-[4-[4-(trifluoromethyl)phenyl]-2-thiazolyl]-
Article Data: 1
Molecular Structure:
Molecular Structure of 446883-84-7 (Benzenesulfonyl chloride, 4-[4-[4-(trifluoromethyl)phenyl]-2-thiazolyl]-)
Formula: C16H9ClF3NO2S2
Molecular Weight: 403.833
Synonyms: 4-(4-(4-(Trifluoromethyl)phenyl)thiazol-2-yl)benzene-1-sulfonyl chloride;
Density: 1.48 g/cm3
Boiling Point: 496.9 °C at 760 mmHg
Flash Point: 254.3 °C
PSA: 83.65000
LogP: 6.50420
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Specification

The Benzenesulfonyl chloride, 4-[4-[4-(trifluoromethyl)phenyl]-2-thiazolyl]-, with the CAS registry number 446883-84-7, is also known as 4-(4-(4-(Trifluoromethyl)phenyl)thiazol-2-yl)benzene-1-sulfonyl chloride. This chemical's molecular formula is C16H9ClF3NO2S2 and molecular weight is 403.8264. Its systematic name is called 4-{4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}benzenesulfonyl chloride.

Physical properties of Benzenesulfonyl chloride, 4-[4-[4-(trifluoromethyl)phenyl]-2-thiazolyl]-: (1)ACD/LogP: 6.19; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.19; (4)ACD/LogD (pH 7.4): 6.19; (5)ACD/BCF (pH 5.5): 29680.44; (6)ACD/BCF (pH 7.4): 29680.44; (7)ACD/KOC (pH 5.5): 55332.28; (8)ACD/KOC (pH 7.4): 55332.28; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.579; (12)Molar Refractivity: 90.74 cm3; (13)Molar Volume: 272.8 cm3; (14)Surface Tension: 45.5 dyne/cm; (15)Density: 1.479 g/cm3; (16)Flash Point: 254.3 °C; (17)Enthalpy of Vaporization: 73.57 kJ/mol; (18)Boiling Point: 496.9 °C at 760 mmHg; (19)Vapour Pressure: 1.59E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c3ccc(c1nc(sc1)c2ccc(cc2)S(Cl)(=O)=O)cc3
(2)InChI: InChI=1/C16H9ClF3NO2S2/c17-25(22,23)13-7-3-11(4-8-13)15-21-14(9-24-15)10-1-5-12(6-2-10)16(18,19)20/h1-9H
(3)InChIKey: UGHITQRMICHJDI-UHFFFAOYAX