Name: BENZOIC ACID,2-AMINO-4-CHLORO-5-FLUORO-
SKU: 108288-16-0

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Basic Information

Molecular Structure:
CAS No.:	108288-16-0
Name:	BENZOIC ACID,2-AMINO-4-CHLORO-5-FLUORO-
Article Data:	2

Formula:	C₇H₅ClFNO₂
Molecular Weight:	189.574
Synonyms:	3-Amino-6-chloro-4-fluorobenzoic acid;
Density:	1.574 g/cm³
Boiling Point:	350.096 °C at 760 mmHg
Flash Point:	165.533 °C
PSA:	63.32000
LogP:	2.34070

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Specification

The Benzoic acid, 2-amino-4-chloro-5-fluoro-, with the CAS registry number 108288-16-0, is also known as 3-Amino-6-chloro-4-fluorobenzoic acid. This chemical's molecular formula is C₇H₅ClFNO₂ and molecular weight is 189.5715. What's more, its systematic name is called 5-Amino-2-chloro-4-fluorobenzoic acid.

Physical properties about Benzoic acid, 2-amino-4-chloro-5-fluoro- are: (1)ACD/LogP: 1.97; (2)#of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 63.32 Å²; (11)Index of Refraction: 1.62; (12)Molar Refractivity: 42.308 cm³; (13)Molar Volume: 120.404 cm³; (14)Polarizability: 16.772×10^-24 cm³; (15)Surface Tension: 62.271 dyne/cm; (16)Density: 1.574 g/cm³; (17)Flash Point: 165.533 °C; (18)Enthalpy of Vaporization: 62.754 kJ/mol; (19)Boiling Point: 350.096 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cc(N)c(F)cc1Cl
(2) InChI: InChI=1/C7H5ClFNO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,10H2,(H,11,12)
(3) InChIKey: GANBUJGJERTPPV-UHFFFAOYAO