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772-18-9

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Basic Information
CAS No.: 772-18-9
Name: N-Ethyl 4-fluorobenzamide
Article Data: 8
Molecular Structure:
Molecular Structure of 772-18-9 (N-Ethyl 4-fluorobenzamide)
Formula: C9H10FNO
Molecular Weight: 167.183
Synonyms: 4-Fluoro-N-aethylbenzamid;4-Fluor-benzoesaeure-ethylamid;N-ETHYL 4-FLUOROBENZAMIDE;
Density: 1.11 g/cm3
Boiling Point: 289.3 °C at 760 mmHg
Flash Point: 128.8 °C
PSA: 29.10000
LogP: 1.96630
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Specification

The N-ethyl-4-fluorobenzamide is an organic compound with the formula C9H10FNO. With the CAS registry number 772-18-9, the systematic name of this chemical is N-ethyl-4-fluorobenzamide.

Physical properties about N-ethyl-4-fluorobenzamide are: (1)ACD/LogP: 2.12; (2)ACD/LogD (pH 5.5): 2.12; (3)ACD/LogD (pH 7.4): 2.12; (4)ACD/BCF (pH 5.5): 23.94; (5)ACD/BCF (pH 7.4): 23.94; (6)ACD/KOC (pH 5.5): 337.9; (7)ACD/KOC (pH 7.4): 337.9; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 20.31 Å2; (12)Index of Refraction: 1.503; (13)Molar Refractivity: 44.5 cm3; (14)Molar Volume: 150.4 cm3; (15)Polarizability: 17.64×10-24cm3; (16)Surface Tension: 35.4 dyne/cm; (17)Density: 1.11 g/cm3; (18)Flash Point: 128.8 °C; (19)Enthalpy of Vaporization: 52.86 kJ/mol; (20)Boiling Point: 289.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00222 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(F)cc1)NCC
(2)InChI: InChI=1/C9H10FNO/c1-2-11-9(12)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3,(H,11,12)
(3)InChIKey: CEXQVUVWTKQADG-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H10FNO/c1-2-11-9(12)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3,(H,11,12)
(5)Std. InChIKey: CEXQVUVWTKQADG-UHFFFAOYSA-N