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| CAS No.: | 723-69-3 |
|---|---|
| Name: | 2-(4-FLUOROPHENYL)-2-PHENYLACETIC ACID |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C14H11FO2 |
| Molecular Weight: | 230.23 |
| Synonyms: | Aceticacid, (p-fluorophenyl)phenyl- (6CI,7CI,8CI);(p-Fluorophenyl)phenylacetic acid;(4-fluorophenyl)(phenyl)acetic acid;benzeneacetic acid, 4-fluoro-α-phenyl-; |
| Density: | 1.244 g/cm3 |
| Melting Point: | 104-106 °C |
| Boiling Point: | 346.2 °C at 760 mmHg |
| Flash Point: | 163.2 °C |
| PSA: | 37.30000 |
| LogP: | 3.04220 |
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- Total:13 Page 1 of 1 1
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Specification
The Benzeneacetic acid,4-fluoro-a-phenyl-, with the CAS registry number 723-69-3, has the systematic name of (4-fluorophenyl)(phenyl)acetic acid. And the molecular formula of this chemical is C14H11FO2. It is a kind of irritant chemical, and also called 2-(4-fluorophenyl)-2-phenylacetic acid.
The physical properties of Benzeneacetic acid,4-fluoro-a-phenyl- are as following: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 3.58; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.06; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 61.76 cm3; (15)Molar Volume: 184.9 cm3; (16)Polarizability: 24.48×10-24cm3; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.244 g/cm3; (19)Flash Point: 163.2 °C; (20)Enthalpy of Vaporization: 62.3 kJ/mol; (21)Boiling Point: 346.2 °C at 760 mmHg; (22)Vapour Pressure: 2.22E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C(C(=O)O)c2ccccc2
(2)InChI: InChI=1/C14H11FO2/c15-12-8-6-11(7-9-12)13(14(16)17)10-4-2-1-3-5-10/h1-9,13H,(H,16,17)
(3)InChIKey: PKCHPRKLZKXQHF-UHFFFAOYAW