Methyl 4-acetamido-5-chloro-2-ethoxybenzoate supplier

Name
4-Acetamino-5-chloro-2-ethoxy methyl benzoate
EINECS
CAS No. 4235-43-2
Article Data3
CAS DataBase
Density 1.276 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₄ClNO₄
Boiling Point 448.529 °C at 760 mmHg
Molecular Weight 271.7
Flash Point 225.062 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 4-(acetylamino)-5-chloro-2-ethoxybenzoate;
PSA 64.63000
LogP 2.55670

Methyl 4-acetamido-5-chloro-2-ethoxybenzoate Specification

The 4-Acetamino-5-chloro-2-ethoxy methyl benzoate, with the CAS registry number of 4235-43-2, is also known as Methyl 4-acetamido-5-chloro-2-ethoxybenzoate. It belongs to the product category of Pharmaceutical Intermediates. This chemical's molecular formula is C₁₂H₁₄ClNO₄ and molecular weight is 271.6969. What's more, its systematic name is called Methyl 4-(acetylamino)-5-chloro-2-ethoxybenzoate.

Physical properties about 4-Acetamino-5-chloro-2-ethoxy methyl benzoate are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 75; (6)ACD/BCF (pH 7.4): 75; (7)ACD/KOC (pH 5.5): 764; (8)ACD/KOC (pH 7.4): 764; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 64.63 Å²; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 68.504 cm³; (15)Molar Volume: 212.869 cm³; (16)Surface Tension: 43.981 dyne/cm; (17)Density: 1.276 g/cm³; (18)Flash Point: 225.062 °C; (19)Enthalpy of Vaporization: 70.706 kJ/mol; (20)Boiling Point: 448.529 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(c(OCC)cc1NC(=O)C)C(=O)OC
(2) InChI: InChI=1/C12H14ClNO4/c1-4-18-11-6-10(14-7(2)15)9(13)5-8(11)12(16)17-3/h5-6H,4H2,1-3H3,(H,14,15)
(3) InChIKey: RPOGJJLTBMSAKR-UHFFFAOYAR

Product Name

4-Acetamino-5-chloro-2-ethoxy methyl benzoate

Methyl 4-acetamido-5-chloro-2-ethoxybenzoate Specification

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