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CAS No.: | 7508-99-8 |
---|---|
Name: | 1-(3-FLUOROPHENYL)-1H-PYRROLE-2,5-DIONE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C10H6FNO2 |
Molecular Weight: | 191.162 |
Synonyms: | N-(3-Fluoro-phenyl)maleimide; |
Density: | 1.421 g/cm3 |
Melting Point: | 61-62 °C(Solv: ethanol (64-17-5); water (7732-18-5)) |
Boiling Point: | 315 °C at 760 mmHg |
Flash Point: | 144.3 °C |
Hazard Symbols: | Xi |
PSA: | 37.38000 |
LogP: | 1.32010 |
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The 1H-Pyrrole-2,5-dione, 1-(3-fluorophenyl)-, with the CAS registry number 7508-99-8, is also known as N-(3-Fluoro-phenyl)maleimide. This chemical's molecular formula is C10H6FNO2 and molecular weight is 191.1585. What's more, its systematic name is called 1-(3-Fluorophenyl)-1H-pyrrole-2,5-dione.
Physical properties about 1H-Pyrrole-2,5-dione, 1-(3-fluorophenyl)- are: (1)ACD/LogP: 1.14; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/LogD (pH 7.4): 1.14; (5)ACD/BCF (pH 5.5): 4.34; (6)ACD/BCF (pH 7.4): 4.34; (7)ACD/KOC (pH 5.5): 99.56; (8)ACD/KOC (pH 7.4): 99.56; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 46.31 cm3; (15)Molar Volume: 134.4 cm3; (16)Polarizability: 18.36×10-24 cm3; (17)Surface Tension: 54.8 dyne/cm; (18)Density: 1.421 g/cm3; (19)Flash Point: 144.3 °C; (20)Enthalpy of Vaporization: 55.62 kJ/mol; (21)Boiling Point: 315 °C at 760 mmHg; (22)Vapour Pressure: 0.00045 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cccc(c1)N2C(=O)\C=C/C2=O
(2) InChI: InChI=1/C10H6FNO2/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(12)14/h1-6H
(3) InChIKey: JIOMRSWAMNOWRQ-UHFFFAOYAH