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902836-26-4

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Basic Information
CAS No.: 902836-26-4
Name: [3-(3-FLUORO-BENZYLOXY)-PHENYL]-ACETIC ACID
Molecular Structure:
Molecular Structure of 902836-26-4 ([3-(3-FLUORO-BENZYLOXY)-PHENYL]-ACETIC ACID)
Formula: C15H13FO3
Molecular Weight: 260.265
Synonyms: {3-[(3-Fluorobenzyl)oxy]phenyl}acetic acid; benzeneacetic acid, 3-[(3-fluorophenyl)methoxy]-; 3-(3-Fluorobenzyloxy)Phenylacetic Acid
Density: 1.265 g/cm3
Melting Point: 90-96℃
Boiling Point: 415.752 °C at 760 mmHg
Flash Point: 205.24 °C
PSA: 46.53000
LogP: 3.03180
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Specification

The 3-(3-Fluorobenzyloxy)phenylacetic acid, with the CAS registry number 902836-26-4, is also known as [3-(3-Fluoro-benzyloxy)-phenyl]-acetic acid. This chemical's molecular formula is C15H13FO3 and molecular weight is 260.26. What's more, its systematic name is called {3-[(3-Fluorobenzyl)oxy]phenyl}acetic acid.

Physical properties about 3-(3-Fluorobenzyloxy)phenylacetic acid are: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 46.53 Å2; (7)Index of Refraction: 1.58; (8)Molar Refractivity: 68.526 cm3; (9)Molar Volume: 205.79 cm3; (10)Surface Tension: 47.977 dyne/cm; (11)Density: 1.265 g/cm3; (12)Flash Point: 205.24 °C; (13)Enthalpy of Vaporization: 70.523 kJ/mol; (14)Boiling Point: 415.752 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cccc(c1)COc2cc(ccc2)CC(=O)O
(2) InChI: InChI=1/C15H13FO3/c16-13-5-1-4-12(7-13)10-19-14-6-2-3-11(8-14)9-15(17)18/h1-8H,9-10H2,(H,17,18)
(3) InChIKey: BNMQCGBGOFGWLL-UHFFFAOYAX