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CAS No.: | 255876-53-0 |
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Name: | 5-(2-Chlorophenyl)oxazole-4-carboxylic acid |
Molecular Structure: | |
Formula: | C10H6ClNO3 |
Molecular Weight: | 223.61 |
Synonyms: | 5-(2-Chlorophenyl)-1,3-oxazole-4-carboxylic acid; |
Density: | 1.44 g/cm3 |
Boiling Point: | 363.3 °C at 760 mmHg |
Flash Point: | 173.5 °C |
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The chemical with CAS registry number of 255876-53-0 is known as 5-(2-Chlorophenyl)oxazole-4-carboxylic acid. The systematic name is 5-(2-Chlorophenyl)-1,3-oxazole-4-carboxylic acid. In addition, the formula is C10H6ClNO3 and the molecular weight is 223.61.
Physical properties about 5-(2-Chlorophenyl)oxazole-4-carboxylic acid are: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.07; (4)ACD/LogD (pH 7.4): -1.75; (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: 52.33Å2; (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: 173.5 °C; (20)Enthalpy of Vaporization: 64.29 kJ/mol; (21)Boiling Point: 363.3 °C at 760 mmHg; (22)Vapour Pressure: 6.48E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: O=C(O)c2ncoc2c1c(Cl)cccc1
2. InChI: InChI=1/C10H6ClNO3/c11-7-4-2-1-3-6(7)9-8(10(13)14)12-5-15-9/h1-5H,(H,13,14)
3. InChIKey: IGBCIBWBDFNAQC-UHFFFAOYAL
4. Std. InChI: InChI=1S/C10H6ClNO3/c11-7-4-2-1-3-6(7)9-8(10(13)14)12-5-15-9/h1-5H,(H,13,14)
5. Std. InChIKey: IGBCIBWBDFNAQC-UHFFFAOYSA-N