CAS No.1196151-13-9,Benzoic acid, 6-amino-2,3,4-trifluoro- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1196151-13-9
Name:	Benzoic acid, 6-amino-2,3,4-trifluoro-

Formula:	C₇H₄F₃NO₂
Molecular Weight:	191.1074
Synonyms:	6-Amino-2,3,4-trifluorobenzoic acid;
Density:	1.635 g/cm³
Boiling Point:	316.8 °C at 760 mmHg
Flash Point:	145.4 °C
PSA:	63.32000
LogP:	1.96550

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Specification

The CAS registry number of Benzoic acid, 6-amino-2,3,4-trifluoro- is 1196151-13-9. This chemical's molecular formula is C₇H₄F₃NO₂ and molecular weight is 191.1074. What's more, both its IUPAC name and systematic name are the same which is called 6-Amino-2,3,4-trifluorobenzoic acid.

Physical properties about Benzoic acid, 6-amino-2,3,4-trifluoro- are: (1)ACD/LogP: 2.43; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.25; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.27; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 63.32 Å²; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 37.4 cm³; (14)Molar Volume: 116.8 cm³; (15)Polarizability: 14.82×10^-24 cm³; (16)Surface Tension: 53.8 dyne/cm; (17)Density: 1.635 g/cm³; (18)Flash Point: 145.4 °C; (19)Enthalpy of Vaporization: 58.93 kJ/mol; (20)Boiling Point: 316.8 °C at 760 mmHg; (21)Vapour Pressure: 0.000169 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1c(F)c(F)c(F)cc1N
(2) InChI: InChI=1/C7H4F3NO2/c8-2-1-3(11)4(7(12)13)6(10)5(2)9/h1H,11H2,(H,12,13)
(3) InChIKey: NPOKVVQMFRQBAO-UHFFFAOYAO