CAS No.69404-00-8,ETHYL 5-NITROBENZOFURAN-2-CARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	69404-00-8
Name:	ETHYL 5-NITROBENZOFURAN-2-CARBOXYLATE

Formula:	C₁₁H₉NO₅
Molecular Weight:	235.19
Synonyms:	Ethyl 5-nitrobenzo[b]furan-2-carboxylate;5-Nitrobenzofuran-2-carboxylic acid ethyl ester;
Density:	1.363 g/cm³
Melting Point:	150-155 °C
Boiling Point:	359.698 °C at 760 mmHg
Flash Point:	171.34 °C
Safety:	24/25
PSA:	85.26000
LogP:	3.04090

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Specification

The Ethyl 5-nitrobenzofuran-2-carboxylate, with the CAS registry number 69404-00-8, is also known as 5-Nitrobenzofuran-2-carboxylic acid ethyl ester. This chemical's molecular formula is C₁₁H₉NO₅ and molecular weight is 235.19. What's more, its systematic name is Ethyl 5-nitro-1-benzofuran-2-carboxylate. When using it, you must avoid contact with skin and eyes.

Physical properties of Fluvastatin are: (1)ACD/LogP: 2.789; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 77.58; (6)ACD/BCF (pH 7.4): 77.58; (7)ACD/KOC (pH 5.5): 783.93; (8)ACD/KOC (pH 7.4): 783.93; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 85.26 Å²; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 59.347 cm³; (15)Molar Volume: 172.585 cm³; (16)Polarizability: 23.527×10^-24cm³; (17)Surface Tension: 52.7910003662109 dyne/cm; (18)Density: 1.363 g/cm³; (19)Flash Point: 171.34 °C; (20)Enthalpy of Vaporization: 60.533 kJ/mol; (21)Boiling Point: 359.698 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2cc1c(oc(c1)C(=O)OCC)cc2
(2)Std. InChI: InChI=1S/C11H9NO5/c1-2-16-11(13)10-6-7-5-8(12(14)15)3-4-9(7)17-10/h3-6H,2H2,1H3
(3)Std. InChIKey:ATHBGWVHAWGMAL-UHFFFAOYSA-N