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625471-27-4

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Basic Information
CAS No.: 625471-27-4
Name: Methyl2-fluoro-5-iodobenzoate
Article Data: 8
Molecular Structure:
Molecular Structure of 625471-27-4 (Methyl2-fluoro-5-iodobenzoate)
Formula: C8H6FIO2
Molecular Weight: 280.037
Synonyms: Methyl 2-Fluoro-5-iodobenzoate;Methyl-2-fluor-5-iodbenzolcarboxylat;2-Fluoro-5-iodobenzoic acid methyl ester;
Density: 1.823 g/cm3
Boiling Point: 293.1 °C at 760 mmHg
Flash Point: 131.1 °C
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Specification

The Methyl2-fluoro-5-iodobenzoate, with the CAS registry number 625471-27-4, is also known as 2-Fluoro-5-iodobenzoic acid methyl ester. This chemical's molecular formula is C8H6FIO2 and molecular weight is 280.03. What's more, its IUPAC name is methyl 2-fluoro-5-iodobenzoate.

Physical properties of Methyl2-fluoro-5-iodobenzoate are: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.99; (4)ACD/LogD (pH 7.4): 2.99; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 26.3 Å2; (9)Index of Refraction: 1.577; (10)Molar Refractivity: 50.92 cm3; (11)Molar Volume: 153.6 cm3; (12)Polarizability: 20.18×10-24cm3; (13)Surface Tension: 43.6 dyne/cm; (14)Density: 1.823 g/cm3; (15)Flash Point: 131.1 °C; (16)Enthalpy of Vaporization: 53.27 kJ/mol; (17)Boiling Point: 293.1 °C at 760 mmHg; (18)Vapour Pressure: 0.00176 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=C(C=CC(=C1)I)F
(2)InChI: InChI=1S/C8H6FIO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,1H3
(3)InChIKey: KJGDRMNKJLVWNQ-UHFFFAOYSA-N