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42152-55-6

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Basic Information
CAS No.: 42152-55-6
Name: N-(5-CHLORO-THIOPHEN-2-YL)-ACETAMIDE
Article Data: 7
Molecular Structure:
Molecular Structure of 42152-55-6 (N-(5-CHLORO-THIOPHEN-2-YL)-ACETAMIDE)
Formula: C6H6ClNOS
Molecular Weight: 175.639
Synonyms: Thiophene,2-acetamido-5-chloro- (6CI);2-Acetamido-5-chlorothiophene;N-(5-Chloro-2-thienyl)acetamide;
Density: 1.417 g/cm3
Boiling Point: 336.722 °C at 760 mmHg
Flash Point: 157.444 °C
PSA: 57.34000
LogP: 2.43290
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Specification

The Acetamide,N-(5-chloro-2-thienyl)-, with the CAS registry number 42152-55-6, has the systematic name of N-(5-chlorothiophen-2-yl)acetamide. And the molecular formula of this chemical is C6H6ClNOS. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of Acetamide,N-(5-chloro-2-thienyl)- are as following: (1)ACD/LogP: 1.97; (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): 16; (6)ACD/BCF (pH 7.4): 16; (7)ACD/KOC (pH 5.5): 249; (8)ACD/KOC (pH 7.4): 249; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 57.34 Å2; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 43.804 cm3; (15)Molar Volume: 123.946 cm3; (16)Polarizability: 17.365×10-24cm3; (17)Surface Tension: 50.274 dyne/cm; (18)Density: 1.417 g/cm3; (19)Flash Point: 157.444 °C; (20)Enthalpy of Vaporization: 57.99 kJ/mol; (21)Boiling Point: 336.722 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1sc(Cl)cc1)C
(2)InChI: InChI=1/C6H6ClNOS/c1-4(9)8-6-3-2-5(7)10-6/h2-3H,1H3,(H,8,9)
(3)InChIKey: LOKQTLKTJSMXEG-UHFFFAOYAZ