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98349-23-6

Basic Information
CAS No.: 98349-23-6
Name: 2,4,5-Trifluorobenzamide
Article Data: 3
Molecular Structure:
Molecular Structure of 98349-23-6 (2,4,5-Trifluorobenzamide)
Formula: C7H4F3NO
Molecular Weight: 175.11
Synonyms: ZVR BF DF EF;Benzamide, 2,4,5-trifluoro-;
Density: 1.45 g/cm3
Melting Point: 148-150 °C
Boiling Point: 163.4 °C at 760 mmHg
Flash Point: 52.6 °C
Hazard Symbols: IrritantXi
PSA: 43.09000
LogP: 1.90310
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Specification

The 2,4,5-Trifluorobenzamide, with the CAS registry number 98349-23-6, is also known as Benzamide, 2,4,5-trifluoro-. This chemical's molecular formula is C7H4F3NO and molecular weight is 175.11. 

Physical properties of 2,4,5-Trifluorobenzamide are: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 3.35; (6)ACD/BCF (pH 7.4): 3.35; (7)ACD/KOC (pH 5.5): 82.76; (8)ACD/KOC (pH 7.4): 82.76; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 35.16 cm3; (15)Molar Volume: 120.7 cm3; (16)Polarizability: 13.94×10-24 cm3; (17)Surface Tension: 39.6 dyne/cm; (18)Density: 1.45 g/cm3; (19)Flash Point: 52.6 °C; (20)Enthalpy of Vaporization: 39.99 kJ/mol; (21)Boiling Point: 163.4 °C at 760 mmHg; (22)Vapour Pressure: 2.07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(C(=O)N)c(F)cc1F
(2)InChI: InChI=1/C7H4F3NO/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H2,11,12)
(3)InChIKey: YQRPJVUZSKXCJN-UHFFFAOYAX