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Basic Information
CAS No.: 32427-82-0
Name: 1-(5-CHLOROTHIEN-2-YL)PROPAN-1-ONE
Molecular Structure:
Molecular Structure of 32427-82-0 (1-(5-CHLOROTHIEN-2-YL)PROPAN-1-ONE)
Formula: C7H7ClOS
Molecular Weight: 174.651
Synonyms: 1-(5-Chloro-2-thienyl)propan-1-one;5-Chloro-2-propionylthiophene;NSC 80380;
Density: 1.257 g/cm3
Boiling Point: 270.9 °C at 760 mmHg
Flash Point: 117.7 °C
PSA: 45.31000
LogP: 2.99420
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Specification

The 1-Propanone,1-(5-chloro-2-thienyl)-, with the CAS registry number 32427-82-0, has the systematic name of 1-(5-chlorothiophen-2-yl)propan-1-one. It is also called 1-(5-chlorothiophen-2-yl)propan-1-one. And the molecular formula of this chemical is C7H7ClOS.

The physical properties of 1-Propanone,1-(5-chloro-2-thienyl)- are as following: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 45.31 Å2; (7)Index of Refraction: 1.549; (8)Molar Refractivity: 44.19 cm3; (9)Molar Volume: 138.9 cm3; (10)Polarizability: 17.51×10-24cm3; (11)Surface Tension: 40.9 dyne/cm; (12)Density: 1.257 g/cm3; (13)Flash Point: 117.7 °C; (14)Enthalpy of Vaporization: 50.92 kJ/mol; (15)Boiling Point: 270.9 °C at 760 mmHg; (16)Vapour Pressure: 0.00664 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1sc(Cl)cc1)CC
(2)Std. InChI: InChI=1S/C7H7ClOS/c1-2-5(9)6-3-4-7(8)10-6/h3-4H,2H2,1H3
(3)Std. InChIKey: CSXZVAKERASYSU-UHFFFAOYSA-N