Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-,2-oxo-2-(phenylmethoxy)ethyl ester supplier

Name
Aceclofenac Benzyl Ester
EINECS
CAS No. 100499-89-6
Density 1.348 g/cm³
Solubility
Melting Point
Formula C₂₃H₁₉Cl₂NO₄
Boiling Point 539.3 °C at 760 mmHg
Molecular Weight 444.314
Flash Point 280 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2-Benzyloxy-2-oxo-ethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-(Benzyloxy)-2-oxoethyl {2-[(2,6-dichlorophenyl)amino]phenyl}acetate;Aceclofenac benzyl ester;
PSA 64.63000
LogP 5.63910

Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-,2-oxo-2-(phenylmethoxy)ethyl ester Specification

The Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-,2-oxo-2-(phenylmethoxy)ethyl ester, with the CAS registry number 100499-89-6, is also known as 2-(Benzyloxy)-2-oxoethyl {2-[(2,6-dichlorophenyl)amino]phenyl}acetate. This chemical's molecular formula is C₂₃H₁₉Cl₂NO₄ and molecular weight is 444.31. What's more, its systematic name is (2-Benzyloxy-2-oxo-ethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate.

Physical properties of Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-,2-oxo-2-(phenylmethoxy)ethyl ester are: (1)ACD/LogP: 6.56; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.56; (4)ACD/LogD (pH 7.4): 6.56; (5)ACD/BCF (pH 5.5): 57379.23; (6)ACD/BCF (pH 7.4): 57379.23; (7)ACD/KOC (pH 5.5): 88694.75; (8)ACD/KOC (pH 7.4): 88694.75; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 64.63 Å²; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 116.9 cm³; (15)Molar Volume: 329.3 cm³; (16)Polarizability: 46.34×10^-24cm³; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.348 g/cm³; (19)Flash Point: 280 °C; (20)Enthalpy of Vaporization: 81.67 kJ/mol; (21)Boiling Point: 539.3 °C at 760 mmHg; (22)Vapour Pressure: 1.06E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)COC(=O)COC(=O)Cc2ccccc2Nc3c(cccc3Cl)Cl
(2)InChI: InChI=1/C23H19Cl2NO4/c24-18-10-6-11-19(25)23(18)26-20-12-5-4-9-17(20)13-21(27)30-15-22(28)29-14-16-7-2-1-3-8-16/h1-12,26H,13-15H2
(3)InChIKey: RLKZSYGBKCIRFJ-UHFFFAOYSA-N

Product Name

Aceclofenac Benzyl Ester

Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-,2-oxo-2-(phenylmethoxy)ethyl ester Specification

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