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| CAS No.: | 914220-30-7 |
|---|---|
| Name: | 5-(4-Nitrophenyl)oxazole-4-carboxylic acid |
| Molecular Structure: | |
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| Formula: | C10H6N2O5 |
| Molecular Weight: | 234.165 |
| Synonyms: | 4-Oxazolecarboxylic acid,5-(4-nitrophenyl)- |
| Density: | 1.51 g/cm3 |
| Boiling Point: | 439.177 °C at 760 mmHg |
| Flash Point: | 219.407 °C |
| PSA: | 109.15000 |
| LogP: | 2.47120 |
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- 95789-13-21,3,7-trimethylpurine-2,6-dione
- 956104-42-02-Bromo-5-nitro-3-(trifluoromethyl)pyridine
- 945683-37-41-butyl-2,3-dimethylimidazolium octanesulfate
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- 942196-38-51-Hexyl-3-methylpyridinium hexafluorophosphat
- Total:21 Page 1 of 1 1
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Specification
The 5-(4-Nitrophenyl)oxazole-4-carboxylic acid, with CAS registry number 914220-30-7, belongs to the following product categories: (1)Blocks; (2)Carboxes; (3)NitroCompounds; (4)Oxazoles. It has the systematic name of 5-(4-nitrophenyl)-1,3-oxazole-4-carboxylic acid. And the chemical formula of this chemical is C10H6N2O5.
Physical properties of 5-(4-Nitrophenyl)oxazole-4-carboxylic acid: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 109.15 Å2; (11)Index of Refraction: 1.623; (12)Molar Refractivity: 54.711 cm3; (13)Molar Volume: 155.108 cm3; (14)Polarizability: 21.689×10-24cm3; (15)Surface Tension: 68.588 dyne/cm; (16)Density: 1.51 g/cm3; (17)Flash Point: 219.407 °C; (18)Enthalpy of Vaporization: 73.367 kJ/mol; (19)Boiling Point: 439.177 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2ncoc2c1ccc(cc1)[N+]([O-])=O
(2)InChI: InChI=1/C10H6N2O5/c13-10(14)8-9(17-5-11-8)6-1-3-7(4-2-6)12(15)16/h1-5H,(H,13,14)
(3)InChIKey: PUWYNVGKYCYJJF-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H6N2O5/c13-10(14)8-9(17-5-11-8)6-1-3-7(4-2-6)12(15)16/h1-5H,(H,13,14)
(5)Std. InChIKey: PUWYNVGKYCYJJF-UHFFFAOYSA-N