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CAS No.: | 347187-18-2 |
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Name: | 5-(2-Fluorophenyl)-1,3-oxazole-4-carBoxylicacid |
Molecular Structure: | |
Formula: | C10H6FNO3 |
Molecular Weight: | 207.16 |
Synonyms: | 5-(2-Fluorophenyl)-1,3-oxazole-4-carboxylic acid; |
Density: | 1.405 g/cm3 |
Boiling Point: | 344.427 °C at 760 mmHg |
Flash Point: | 162.104 °C |
Hazard Symbols: | Xi |
PSA: | 63.33000 |
LogP: | 2.17890 |
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The chemical with CAS registry number of 347187-18-2 is known as 5-(2-Fluoropheny)oxazole-4-carboxylic acid. The systematic name is 5-(2-Fluorophenyl)-1,3-oxazole-4-carboxylic acid. It belongs to product categories of Blocks; Carboxes; Oxazoles. In addition, the formula is C10H6FNO3 and the molecular weight is 207.16. What's more, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 5-(2-Fluoropheny)oxazole-4-carboxylic acid are: (1)ACD/LogP: 2.28; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 63.33Å2; (10)Index of Refraction: 1.567; (11)Molar Refractivity: 48.16 cm3; (12)Molar Volume: 147.476 cm3; (13)Polarizability: 19.092×10-24cm3; (14)Surface Tension: 53.052 dyne/cm; (15)Density: 1.405 g/cm3; (16)Flash Point: 162.104 °C; (17)Enthalpy of Vaporization: 62.097 kJ/mol; (18)Boiling Point: 344.427 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: O=C(O)c2ncoc2c1ccccc1F
2. InChI: InChI=1/C10H6FNO3/c11-7-4-2-1-3-6(7)9-8(10(13)14)12-5-15-9/h1-5H,(H,13,14)
3. InChIKey: COYYCXFHTJQGGF-UHFFFAOYAD
4. Std. InChI: InChI=1S/C10H6FNO3/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: COYYCXFHTJQGGF-UHFFFAOYSA-N