CAS No.139272-66-5,Aceclofenac Methyl Ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	139272-66-5
Name:	Aceclofenac Methyl Ester
Article Data:	3

Formula:	C₁₇H₁₅Cl₂NO₄
Molecular Weight:	368.216
Synonyms:	(2-Methoxy-2-oxo-ethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate;
Density:	1.37 g/cm³
Melting Point:	108-109°C
Boiling Point:	448.373 °C at 760 mmHg
Flash Point:	224.968 °C
PSA:	64.63000
LogP:	4.06870

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Specification

The CAS registry number of Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-,2-methoxy-2-oxoethyl ester is 139272-66-5. In addition, the molecular formula is C₁₇H₁₅Cl₂NO₄ and the molecular weight is 367.04. The systematic name is (2-methoxy-2-oxo-ethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-,2-methoxy-2-oxoethyl ester are: (1)ACD/LogP: 3.96; (2)ACD/LogD (pH 5.5): 3.955; (3)ACD/LogD (pH 7.4): 3.955; (4)ACD/BCF (pH 5.5): 596.796; (5)ACD/BCF (pH 7.4): 596.796; (6)ACD/KOC (pH 5.5): 3377.058; (7)ACD/KOC (pH 7.4): 3377.058; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 64.63 Å²; (12)Index of Refraction: 1.604; (13)Molar Refractivity: 92.415 cm³; (14)Molar Volume: 268.677 cm³; (15)Polarizability: 36.636 10^-24cm³; (16)Surface Tension: 50.935 dyne/cm; (17)Density: 1.37 g/cm³; (18)Flash Point: 224.968 °C; (19)Enthalpy of Vaporization: 70.688 kJ/mol; (20)Boiling Point: 448.373 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)COC(=O)Cc1ccccc1Nc2c(cccc2Cl)Cl
(2)InChI: InChI=1/C17H15Cl2NO4/c1-23-16(22)10-24-15(21)9-11-5-2-3-8-14(11)20-17-12(18)6-4-7-13(17)19/h2-8,20H,9-10H2,1H3
(3)InChIKey: CYRWXOBAPNKPIF-UHFFFAOYAS