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394-27-4

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Basic Information
CAS No.: 394-27-4
Name: 2-ACETAMIDO-4-FLUOROBENZOIC ACID
Article Data: 4
Molecular Structure:
Molecular Structure of 394-27-4 (2-ACETAMIDO-4-FLUOROBENZOIC ACID)
Formula: C9H8FNO3
Molecular Weight: 197.166
Synonyms: Anthranilicacid, N-acetyl-4-fluoro- (8CI);N-Acetyl-4-fluoroanthranilic acid;
Density: 1.415 g/cm3
Melting Point: 212-216 °C
Boiling Point: 408.7 °C at 760 mmHg
Flash Point: 201 °C
Hazard Symbols: IrritantXi
PSA: 66.40000
LogP: 1.55530
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Specification

The 2-Acetamido-4-fluorobenzoic acid, with the CAS registry number 394-27-4, is also known as Benzoic acid, 2-(acetylamino)-4-fluoro-. This chemical's molecular formula is C9H8FNO3 and molecular weight is 197.16. Its systematic name is called 2-(acetylamino)-4-fluorobenzoic acid. When you are using this chemical, please be cautious about it，it may cause inflammation to the skin or other mucous membranes.

Physical properties of 2-Acetamido-4-fluorobenzoic acid: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.73; (4)ACD/LogD (pH 7.4): -0.51; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.87; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.597; (13)Molar Refractivity: 47.44 cm3; (14)Molar Volume: 139.2 cm3; (15)Surface Tension: 55.6 dyne/cm; (16)Density: 1.415 g/cm3; (17)Melting Point: 212-216 °C(lit.); (18)Flash Point: 201 °C; (19)Enthalpy of Vaporization: 69.67 kJ/mol; (20)Boiling Point: 408.7 °C at 760 mmHg; (21)Vapour Pressure: 2.06E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1cc(F)ccc1C(=O)O)C
(2)InChI: InChI=1/C9H8FNO3/c1-5(12)11-8-4-6(10)2-3-7(8)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
(3)InChIKey: FQNDKDYHEFCPRW-UHFFFAOYAL