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CAS No.: | 1005763-14-3 |
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Name: | 4-Fluoro-3-formylbenzamide |
Molecular Structure: | |
Formula: | C8H6FNO2 |
Molecular Weight: | 167.14 |
Synonyms: | 4-fluoro-3-formylbenzamide |
Density: | 1.348 g/cm3 |
Boiling Point: | 283.338 °C at 760 mmHg |
Flash Point: | 125.159 °C |
PSA: | 61.15000 |
LogP: | 1.62130 |
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The 4-Fluoro-3-formylbenzamide is an organic compound with the formula C8H6FNO2. The systematic name of this chemical is 4-fluoro-3-formyl-benzamide. With the CAS registry number 1005763-14-3, it is also named as benzamide, 4-fluoro-3-formyl-.
Physical properties about 4-Fluoro-3-formylbenzamide are: (1)ACD/LogP: 0.24; (2)ACD/LogD (pH 5.5): 0.241; (3)ACD/LogD (pH 7.4): 0.241; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 32.222; (7)ACD/KOC (pH 7.4): 32.222; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 60.16 Å2; (12)Index of Refraction: 1.591; (13)Molar Refractivity: 41.93 cm3; (14)Molar Volume: 124.01 cm3; (15)Polarizability: 16.622×10-24cm3; (16)Surface Tension: 52.55 dyne/cm; (17)Density: 1.348 g/cm3; (18)Flash Point: 125.159 °C; (19)Enthalpy of Vaporization: 52.225 kJ/mol; (20)Boiling Point: 283.338 °C at 760 mmHg; (21)Vapour Pressure: 0.003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(cc1C(=O)N)C=O)F
(2)InChI: InChI=1/C8H6FNO2/c9-7-2-1-5(8(10)12)3-6(7)4-11/h1-4H,(H2,10,12)
(3)InChIKey: QRDXPJDKBLBYAZ-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H6FNO2/c9-7-2-1-5(8(10)12)3-6(7)4-11/h1-4H,(H2,10,12)
(5)Std. InChIKey: QRDXPJDKBLBYAZ-UHFFFAOYSA-N