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CAS No.: | 736991-35-8 |
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Name: | 3-FLUORO-2-(N-MORPHOLINO)-BENZALDEHYDE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C11H12FNO2 |
Molecular Weight: | 209.22 |
Synonyms: | 3-Fluoro-2-(morpholin-4-yl)benzaldehyde; |
Density: | 1.24 g/cm3 |
Boiling Point: | 335 ºC at 760 mmHg |
Flash Point: | 156.4 ºC |
Hazard Symbols: | Xi |
PSA: | 29.54000 |
LogP: | 1.53980 |
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The CAS registry number of Benzaldehyde,3-fluoro-2-(4-morpholinyl)- is 736991-35-8. This chemical's molecular formula is C11H12FNO2 and molecular weight is 209.22. What's more, its systematic name is called 3-Fluoro-2-morpholino-benzaldehyde.
Physical properties about Benzaldehyde,3-fluoro-2-(4-morpholinyl)- are: (1)ACD/LogP: 1.34; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): 1.34; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 29.54 Å2; (9)Index of Refraction: 1.563; (10)Molar Refractivity: 54.8 cm3; (11)Molar Volume: 168.6 cm3; (12)Polarizability: 21.72×10-24 cm3; (13)Surface Tension: 44.5 dyne/cm; (14)Density: 1.24 g/cm3; (15)Flash Point: 156.4 °C; (16)Enthalpy of Vaporization: 57.8 kJ/mol; (17)Boiling Point: 335 °C at 760 mmHg; (18)Vapour Pressure: 0.000124 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc2cccc(F)c2N1CCOCC1
(2) InChI: InChI=1/C11H12FNO2/c12-10-3-1-2-9(8-14)11(10)13-4-6-15-7-5-13/h1-3,8H,4-7H2
(3) InChIKey: PHFOFAFGLSWNPJ-UHFFFAOYAK