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2(4-Carboxyphenyl)-4,5-diphenylimidazole

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Name

2(4-Carboxyphenyl)-4,5-diphenylimidazole

EINECS N/A
CAS No. 5496-35-5 Density 1.263 g/cm3
PSA 65.98000 LogP 5.10890
Solubility N/A Melting Point N/A
Formula C22H16N2O2 Boiling Point 596.9 °C at 760 mmHg
Molecular Weight 340.381 Flash Point 314.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5496-35-5 (4-(4,5-DIPHENYL-1H-IMIDAZOL-2-YL)BENZOIC ACID) Hazard Symbols N/A
Synonyms

2(p-Carboxyphenyl)-4,5-diphenylimidazole;Benzoic acid, 4-(4,5-diphenyl-1H-imidazol-2-yl)-;4-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid;

Article Data 8

2(4-Carboxyphenyl)-4,5-diphenylimidazole Specification

This chemical is called 2(4-Carboxyphenyl)-4,5-diphenylimidazole, and its IUPAC name is 4-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid. With the molecular formula of C22H16N2O2, its molecular weight is 340.3746. The CAS registry number of this chemical is 5496-35-5. Additionally, it's used in photo processing.

Other characteristics of the can be summarised as followings: (1)ACD/LogP: 5.04; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.18; (4)ACD/LogD (pH 7.4): 3.97; (5)ACD/BCF (pH 5.5): 1940.3; (6)ACD/BCF (pH 7.4): 120.78; (7)ACD/KOC (pH 5.5): 2511.08; (8)ACD/KOC (pH 7.4): 156.31; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.12 Å2; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 99.48 cm3; (15)Molar Volume: 269.3 cm3; (16)Polarizability: 39.43×10-24cm3; (17)Surface Tension: 57.9 dyne/cm; (18)Density: 1.263 g/cm3; (19)Flash Point: 314.8 °C; (20)Enthalpy of Vaporization: 93.5 kJ/mol; (21)Boiling Point: 596.9 °C at 760 mmHg; (22)Vapour Pressure: 4.3E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)c4ccc(c1nc(c(n1)c2ccccc2)c3ccccc3)cc4
2.InChI: InChI=1/C22H16N2O2/c25-22(26)18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)20(24-21)16-9-5-2-6-10-16/h1-14H,(H,23,24)(H,25,26)
3.InChIKey: BCXPNUSETAZHEQ-UHFFFAOYAA

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