CAS No.59962-89-9,5-Chloro-benzofuran-2-carboxylic acid ethyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	59962-89-9
Name:	5-Chloro-benzofuran-2-carboxylic acid ethyl ester
Article Data:	18

Formula:	C₁₁H₉ClO₃
Molecular Weight:	224.644
Synonyms:	Ethyl 5-chloro-1-benzofuran-2-carboxylate;
Density:	1.3 g/cm³
Boiling Point:	308.5 °C at 760 mmHg
Flash Point:	140.4 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	39.44000
LogP:	3.26290

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Specification

The 5-Chloro-benzofuran-2-carboxylic acid ethyl ester, with the CAS registry number of 59962-89-9, is also known as Ethyl 5-chlorobenzo[b]furan-2-carboxylate. This chemical's molecular formula is C₁₁H₉ClO₃ and molecular weight is 224.64. What's more, its systematic name is called Ethyl 5-chloro-1-benzofuran-2-carboxylate.

Physical properties about 5-Chloro-benzofuran-2-carboxylic acid ethyl ester are: (1)ACD/LogP: 3.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.65; (4)ACD/LogD (pH 7.4): 3.65; (5)ACD/BCF (pH 5.5): 349.38; (6)ACD/BCF (pH 7.4): 349.38; (7)ACD/KOC (pH 5.5): 2301.98; (8)ACD/KOC (pH 7.4): 2301.98; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.44 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 57.69 cm³; (15)Molar Volume: 172.6 cm³; (16)Surface Tension: 44.3 dyne/cm; (17)Density: 1.3 g/cm³; (18)Flash Point: 140.4 °C; (19)Enthalpy of Vaporization: 54.91 kJ/mol; (20)Boiling Point: 308.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000679 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2cc1c(oc(c1)C(=O)OCC)cc2
(2) InChI: InChI=1/C11H9ClO3/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2H2,1H3
(3) InChIKey: KTBFFSXNFOOSEH-UHFFFAOYAL