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| CAS No.: | 143659-14-7 |
|---|---|
| Name: | 5-(4-Chlorophenyl)oxazole-4-carboxylic acid |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C10H6ClNO3 |
| Molecular Weight: | 223.60 |
| Synonyms: | 5-(4-Chlorophenyl)oxazole-4-carboxylicacid;5-(4-chlorophenyl)-1,3-oxazole-4-carboxylic acid;5-(4-Chloro-phenyl)-oxazole-4-carboxylic acid; |
| Density: | 1.44 g/cm3 |
| Boiling Point: | 381.5 °C at 760 mmHg |
| Flash Point: | 184.6 °C |
| PSA: | 63.33000 |
| LogP: | 2.69320 |
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Specification
The 5-(4-Chlorophenyl)oxazole-4-carboxylic acid, with the cas registry number 143659-14-7, has the systematic name of 5-(4-chlorophenyl)-1,3-oxazole-4-carboxylic acid. It belongs to the following product categories: Blocks; Carboxes; Oxazoles. And the molecular formula of the chemical is C10H6ClNO3.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.93; (4)ACD/LogD (pH 7.4): -1.66; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.33 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 53.06 cm3; (15)Molar Volume: 155.2 cm3; (16)Polarizability: 21.03×10-24cm3; (17)Surface Tension: 57.1 dyne/cm; (18)Density: 1.44 g/cm3; (19)Flash Point: 184.6 °C; (20)Enthalpy of Vaporization: 66.44 kJ/mol; (21)Boiling Point: 381.5 °C at 760 mmHg; (22)Vapour Pressure: 1.67E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c2ncoc2c1ccc(Cl)cc1
(2)InChI: InChI=1/C10H6ClNO3/c11-7-3-1-6(2-4-7)9-8(10(13)14)12-5-15-9/h1-5H,(H,13,14)
(3)InChIKey: WGPXKQGURSURNU-UHFFFAOYAU