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CAS No.: | 255876-54-1 |
---|---|
Name: | 5-(3-Chlorophenyl)-oxazole-4-carboxylic acid |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H6ClNO3 |
Molecular Weight: | 223.616 |
Synonyms: | 5-(3-Chlorophenyl)oxazole-4-carboxylicacid; |
Density: | 1.44 g/cm3 |
Boiling Point: | 385.8 °C at 760 mmHg |
Flash Point: | 187.1 °C |
Hazard Symbols: | Xi |
PSA: | 63.33000 |
LogP: | 2.69320 |
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The 4-Oxazolecarboxylicacid, 5-(3-chlorophenyl)-, with the CAS registry number 255876-54-1, is also known as 5-(3-Chlorophenyl)oxazole-4-carboxylic acid. Its molecular formula is C10H6ClNO3 and its systematic name is 5-(3-chlorophenyl)-1,3-oxazole-4-carboxylic acid. Additionally, its product categories are Azoles; Blocks; Carboxes.
Other characteristics of the 4-Oxazolecarboxylicacid, 5-(3-chlorophenyl)- can be summarised as followings: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.95; (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: 187.1 °C; (20)Enthalpy of Vaporization: 66.94 kJ/mol; (21)Boiling Point: 385.8 °C at 760 mmHg; (22)Vapour Pressure: 1.22E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c2ncoc2c1cc(Cl)ccc1
2.InChI: InChI=1/C10H6ClNO3/c11-7-3-1-2-6(4-7)9-8(10(13)14)12-5-15-9/h1-5H,(H,13,14)
3.InChIKey: UHZDXZWJFQEEFP-UHFFFAOYAU