Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethyl 5-(4-chlorophenyl)oxazole-4-carboxylate |
EINECS | N/A |
CAS No. | 127919-28-2 | Density | 1.276 g/cm3 |
PSA | 52.33000 | LogP | 3.17170 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H10ClNO3 | Boiling Point | 390.4 °C at 760 mmHg |
Molecular Weight | 251.669 | Flash Point | 189.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ethyl 5-(4-chlorophenyl)oxazole-4-carboxylate;5-(4-Chloro-phenyl)-oxazole-4-carboxylic acid ethyl ester |
Article Data | 4 |
The Ethyl 5-(4-chlorophenyl)oxazole-4-carboxylate, with the CAS registry number 127919-28-2, belongs to the product categories of Blocks; Carboxes; Oxazoles. This chemical's molecular formula is C12H10ClNO3 and molecular weight is 251.67. Its systematic name is called ethyl 5-(4-chlorophenyl)-1,3-oxazole-4-carboxylate.
Physical properties of Ethyl 5-(4-chlorophenyl)oxazole-4-carboxylate: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 39.72; (6)ACD/BCF (pH 7.4): 39.72; (7)ACD/KOC (pH 5.5): 485.49; (8)ACD/KOC (pH 7.4): 485.49; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.547; (13)Molar Refractivity: 62.53 cm3; (14)Molar Volume: 197 cm3; (15)Surface Tension: 44.5 dyne/cm; (16)Density: 1.276 g/cm3; (17)Flash Point: 189.9 °C; (18)Enthalpy of Vaporization: 63.99 kJ/mol; (19)Boiling Point: 390.4 °C at 760 mmHg; (20)Vapour Pressure: 2.66E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c2ncoc2c1ccc(Cl)cc1
(2)InChI: InChI=1/C12H10ClNO3/c1-2-16-12(15)10-11(17-7-14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
(3)InChIKey: XAZCYGPJBWGQBW-UHFFFAOYAZ