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| CAS No.: | 224323-51-7 |
|---|---|
| Name: | (3-fluoro-4-(Morpholinyl)phenyl)isocyanate |
| Molecular Structure: | |
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| Formula: | C11H11FN2O2 |
| Molecular Weight: | 222.219 |
| Synonyms: | (3-Fluoro-4-(morpholinyl)phenyl)isocyanate; |
| Density: | 1.271 g/cm3 |
| Boiling Point: | 355.302 °C at 760 mmHg |
| Flash Point: | 168.681 °C |
| PSA: | 50.69000 |
| LogP: | 1.78270 |
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- Total:19 Page 1 of 1 1
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Specification
The 4-(2-Fluoro-4-isocyanatophenyl)morpholine, with the CAS registry number 224323-51-7, is also known as (3-Fluoro-4-(morpholinyl)phenyl)isocyanate. This chemical's molecular formula is C11H11FN2O2 and molecular weight is 222.22. What's more, its systematic name is 4-(2-Fluoro-4-isocyanatophenyl)morpholine.
Physical properties of 4-(2-Fluoro-4-isocyanatophenyl)morpholine are: (1)ACD/LogP: 2.205; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.18; (4)ACD/LogD (pH 7.4): 2.20; (5)ACD/BCF (pH 5.5): 26.48; (6)ACD/BCF (pH 7.4): 27.88; (7)ACD/KOC (pH 5.5): 357.92; (8)ACD/KOC (pH 7.4): 376.72; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.9 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 57.262 cm3; (15)Molar Volume: 174.866 cm3; (16)Polarizability: 22.7×10-24cm3; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.271 g/cm3; (19)Flash Point: 168.681 °C; (20)Enthalpy of Vaporization: 60.043 kJ/mol; (21)Boiling Point: 355.302 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C=N\c1cc(F)c(cc1)N2CCOCC2
(2)Std. InChI: InChI=1S/C11H11FN2O2/c12-10-7-9(13-8-15)1-2-11(10)14-3-5-16-6-4-14/h1-2,7H,3-6H2
(3)Std. InChIKey: JFYQLZHULWIALT-UHFFFAOYSA-N