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21771-88-0

Basic Information
CAS No.: 21771-88-0
Name: Benzeneacetic acid,4-chloro-alpha-phenyl-
Article Data: 10
Cas Database
Molecular Structure:
Molecular Structure of 21771-88-0 (Benzeneacetic acid,4-chloro-alpha-phenyl-)
Formula: C14H11ClO2
Molecular Weight: 246.693
Synonyms: (4-Chlorophenyl)(phenyl)acetic acid;
EINECS: N/A
Density: 1.28 g/cm3
Melting Point: 116-117 °C(Solv: benzene (71-43-2))
Boiling Point: 379 °C at 760 mmHg
Flash Point: 183 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: IrritantXi
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 37.30000
LogP: 3.55650
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  • Benzeneacetic acid,4-chloro-alpha-phenyl-

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Specification

The Benzeneacetic acid,4-chloro-alpha-phenyl-, with the CAS registry number of 21771-88-0, is also known as (4-Chlorophenyl)(phenyl)acetic acid. This chemical's molecular formula is C14H11ClO2 and molecular weight is 246.69. What's more, its IUPAC name is 2-(4-Chlorophenyl)-2-phenylacetic acid.

Physical properties about the Benzeneacetic acid,4-chloro-alpha-phenyl- are: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 0.41; (5)ACD/BCF (pH 5.5): 7.48; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 44.77; (8)ACD/KOC (pH 7.4): 1.09; (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: 1.608; (14)Molar Refractivity: 66.66 cm3; (15)Molar Volume: 192.6 cm3; (16)Surface Tension: 50.8 dyne/cm; (17)Density: 1.28 g/cm3; (18)Flash Point: 183 °C; (19)Enthalpy of Vaporization: 66.14 kJ/mol; (20)Boiling Point: 379 °C at 760 mmHg; (21)Vapour Pressure: 2.02E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(cc1)C(C(=O)O)c2ccccc2
(2) InChI: InChI=1/C14H11ClO2/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: YSPUGNBNEKEGKB-UHFFFAOYAI