CAS No.224323-51-7,(3-fluoro-4-(Morpholinyl)phenyl)isocyanate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	224323-51-7
Name:	(3-fluoro-4-(Morpholinyl)phenyl)isocyanate
Article Data:	7

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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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