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5739-37-7

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Basic Information
CAS No.: 5739-37-7
Name: 4'-CHLORO-3-PHENYLPROPIOPHENONE
Article Data: 113
Molecular Structure:
Molecular Structure of 5739-37-7 (4'-CHLORO-3-PHENYLPROPIOPHENONE)
Formula: C15H13ClO
Molecular Weight: 244.721
Synonyms: Propiophenone,4'-chloro-3-phenyl- (6CI,7CI,8CI);1-(4-Chlorophenyl)-3-phenylpropan-1-one;2-Benzyl-4'-chloroacetophenone;4-Chlorophenyl phenethyl ketone;4'-Chloro-3-phenylpropiophenone;NSC 61775;p-Chlorophenyl 2-phenethyl ketone;p-Chlorophenyl phenethyl ketone;
Density: 1.164g/cm3
Melting Point: 78 °C
Boiling Point: 386 °C at 760 mmHg
Flash Point: 214.7 °C
PSA: 17.07000
LogP: 4.15550
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Specification

The 1-Propanone,1-(4-chlorophenyl)-3-phenyl-, with CAS registry number 5739-37-7, has the systematic name of 1-(4-chlorophenyl)-3-phenylpropan-1-one. Besides this, it is also called 4'-Chloro-3-phenylpropiophenone. And the chemical formula of this chemical is C15H13ClO.

Physical properties of 1-Propanone,1-(4-chlorophenyl)-3-phenyl-: (1)ACD/LogP: 4.52; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.583; (8)Molar Refractivity: 70.29 cm3; (9)Molar Volume: 210.1 cm3; (10)Polarizability: 27.86×10-24cm3; (11)Surface Tension: 43.7 dyne/cm; (12)Density: 1.164 g/cm3; (13)Flash Point: 214.7 °C; (14)Enthalpy of Vaporization: 63.48 kJ/mol; (15)Boiling Point: 386 °C at 760 mmHg; (16)Vapour Pressure: 3.66E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Cl)cc1)CCc2ccccc2
(2)InChI: InChI=1/C15H13ClO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2
(3)InChIKey: GQNOPFDKLUGQEC-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C15H13ClO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2
(5)Std. InChIKey: GQNOPFDKLUGQEC-UHFFFAOYSA-N