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90416-47-0

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Basic Information
CAS No.: 90416-47-0
Name: 5-CHLOROMETHYL-FURAN-2-CARBOXYLIC ACID ISOPROPYL ESTER
Molecular Structure:
Molecular Structure of 90416-47-0 (5-CHLOROMETHYL-FURAN-2-CARBOXYLIC ACID ISOPROPYL ESTER)
Formula: C9H11ClO3
Molecular Weight: 202.6348
Synonyms: 2-Furoicacid, 5-(chloromethyl)-, isopropyl ester (7CI);
Density: 1.183g/cm3
Boiling Point: 289.8 °C at 760 mmHg
Flash Point: 129.1 °C
PSA: 39.44000
LogP: 2.58360
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  • 5-CHLOROMETHYL-FURAN-2-CARBOXYLIC ACID ISOPROPYL ESTER

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  • 5-Chloromethyl-furan-2-carboxylic acid isopropyl ester

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    5-Chloromethyl-furan-2-carboxylic acid isopropyl ester

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Specification

The 2-Furancarboxylic acid,5-(chloromethyl)-, 1-methylethyl ester, with CAS registry number 90416-47-0, has the systematic name of propan-2-yl 5-(chloromethyl)furan-2-carboxylate. Besides this, it is also called 5-Chloromethyl-furan-2-carboxylic acid isopropyl ester. And the chemical formula of this chemical is C9H11ClO3.

Physical properties of 2-Furancarboxylic acid,5-(chloromethyl)-, 1-methylethyl ester: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 39.44 Å2; (7)Index of Refraction: 1.487; (8)Molar Refractivity: 49.31 cm3; (9)Molar Volume: 171.2 cm3; (10)Polarizability: 19.55×10-24cm3; (11)Surface Tension: 35.6 dyne/cm; (12)Density: 1.183 g/cm3; (13)Flash Point: 129.1 °C; (14)Enthalpy of Vaporization: 52.91 kJ/mol; (15)Boiling Point: 289.8 °C at 760 mmHg; (16)Vapour Pressure: 0.00215 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)C)c1oc(cc1)CCl
(2)InChI: InChI=1/C9H11ClO3/c1-6(2)12-9(11)8-4-3-7(5-10)13-8/h3-4,6H,5H2,1-2H3
(3)InChIKey: RQMSNEFRYKWKOW-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H11ClO3/c1-6(2)12-9(11)8-4-3-7(5-10)13-8/h3-4,6H,5H2,1-2H3
(5)Std. InChIKey: RQMSNEFRYKWKOW-UHFFFAOYSA-N