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CAS No.: | 941867-91-0 |
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Name: | 4-(Benzyloxy)-1-fluoro-2-nitrobenzene |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C13H10FNO3 |
Molecular Weight: | 247.226 |
Synonyms: | 4-benzoxy-2-nitro-1-fluorobenzene;4-(BENZYLOXY)-1-FLUORO-2-NITROBENZENE; |
Density: | 1.299 g/cm3 |
Boiling Point: | 396.4 °C at 760 mmHg |
Flash Point: | 193.5 °C |
PSA: | 55.05000 |
LogP: | 3.83610 |
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The 4-(Benzyloxy)-1-fluoro-2-nitrobenzene, with the CAS registry number 941867-91-0, has the molecular formula C13H10FNO3. Besides, its molecular weight is 247.2218. Its systematic name is called 4-(Benzyloxy)-1-fluoro-2-nitrobenzene.
Physical properties of 4-(Benzyloxy)-1-fluoro-2-nitrobenzene: (1)ACD/LogP: 3.64; (2)ACD/LogD (pH 5.5): 3.64; (3)ACD/LogD (pH 7.4): 3.64; (4)ACD/BCF (pH 5.5): 343.5; (5)ACD/BCF (pH 7.4): 343.5; (6)ACD/KOC (pH 5.5): 2274.18; (7)ACD/KOC (pH 7.4): 2274.18; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.587; (11)Molar Refractivity: 63.95 cm3; (12)Molar Volume: 190.1 cm3; (13)Surface Tension: 47.2 dyne/cm; (14)Density: 1.299 g/cm3; (15)Flash Point: 193.5 °C; (16)Enthalpy of Vaporization: 62.15 kJ/mol; (17)Boiling Point: 396.4 °C at 760 mmHg; (18)Vapour Pressure: 3.91E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2cc(OCc1ccccc1)ccc2F
(2)InChI: InChI=1/C13H10FNO3/c14-12-7-6-11(8-13(12)15(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9H2
(3)InChIKey: FWBDUAPLKFBELK-UHFFFAOYAT