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2-Thiophenesulfonamide,3-(2-bromoacetyl)-5-chloro- (160982-11-6)

Identification
Name:2-Thiophenesulfonamide,3-(2-bromoacetyl)-5-chloro-
Synonyms:2-Thiophenesulfonamide,3-(bromoacetyl)-5-chloro- (9CI);3-(Bromoacetyl)-5-chloro-2-thiophenesulfonamide;
CAS:160982-11-6
Molecular Formula: C6H5BrClNO3S2
Molecular Weight: 318.60
InChI: InChI=1/C6H5BrClNO3S2/c7-2-4(10)3-1-5(8)13-6(3)14(9,11)12/h1H,2H2,(H2,9,11,12)
Molecular Structure: (C6H5BrClNO3S2) 2-Thiophenesulfonamide,3-(bromoacetyl)-5-chloro- (9CI);3-(Bromoacetyl)-5-chloro-2-thiophenesulfonami...
Properties
Density:1.936
Refractive index:1.64
Specification:

The 3-(Bromoacetyl)-5-chloro-2-thiophenesulfonamide with the CAS number 160982-11-6 is also called 2-Thiophenesulfonamide,3-(2-bromoacetyl)-5-chloro-. Its molecular formula is C6H5BrClNO3S2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 127; (8)ACD/KOC (pH 7.4): 126; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 113.85 Å2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 59.259 cm3; (15)Molar Volume: 164.524 cm3; (16)Polarizability: 23.492×10-24cm3; (17)Surface Tension: 67.389 dyne/cm; (18)Enthalpy of Vaporization: 75.914 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(sc(Cl)c1)S(=O)(=O)N)CBr
(2)InChI: InChI=1/C6H5BrClNO3S2/c7-2-4(10)3-1-5(8)13-6(3)14(9,11)12/h1H,2H2,(H2,9,11,12)
(3)InChIKey: OZESFFKYLOCAOV-UHFFFAOYAA

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