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56949-40-7

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Basic Information
CAS No.: 56949-40-7
Name: 6-Chloro-2-(4-methoxy-phenyl)-chroman-4-one
Article Data: 7
Molecular Structure:
Molecular Structure of 56949-40-7 (6-Chloro-2-(4-methoxy-phenyl)-chroman-4-one)
Formula: C16H13ClO3
Molecular Weight: 288.73
Synonyms: 4H-1-benzopyran-4-one, 6-Chloro-2,3-dihydro-2-(4-methoxyphenyl)-;
Density: 1.289 g/cm3
Melting Point: 174-175℃ (acetic acid )
Boiling Point: 460.9 °C at 760 mmHg
Flash Point: 189.7 °C
PSA: 35.53000
LogP: 4.05510
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  • 6-Chloro-2-(4-methoxy-phenyl)-chroman-4-one

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    Henan Wentao Chemical Product Co.,Ltd is Located in Zhengzhou High-tech Development Zone with import and export license, We passed ISO 9001:2008 as well, Henan Wentao has developed more than 1000 compounds, which are widely used in the fields of prod

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Specification

The CAS registry number of 6-Chloro-2-(4-methoxy-phenyl)-chroman-4-one is 56949-40-7. This chemical is also named as 4H-1-Benzopyran-4-one, 6-Chloro-2,3-dihydro-2-(4-methoxyphenyl)-. In addition, its molecular formula is C16H13ClO3 and molecular weight is 288.7256. Its systematic name is called 6-chloro-2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one.

Physical properties about 6-Chloro-2-(4-methoxy-phenyl)-chroman-4-one are: (1)ACD/LogP: 4.47; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Index of Refraction: 1.595; (7)Molar Refractivity: 76.18 cm3; (8)Molar Volume: 223.9 cm3; (9)Surface Tension: 46.7 dyne/cm; (10)Density: 1.289 g/cm3; (11)Flash Point: 189.7 °C; (12)Enthalpy of Vaporization: 72.16 kJ/mol; (13)Boiling Point: 460.9 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc3ccc2OC(c1ccc(OC)cc1)CC(=O)c2c3
(2)InChI: InChI=1/C16H13ClO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-8,16H,9H2,1H3
(3)InChIKey: OVWGEDDPPJWELB-UHFFFAOYAR