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95656-52-3

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Basic Information
CAS No.: 95656-52-3
Name: 4-amino-3-chloro-5-trifluoromethyl-benzoic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 95656-52-3 (4-amino-3-chloro-5-trifluoromethyl-benzoic acid)
Formula: C8H5ClF3NO2
Molecular Weight: 239.581
Synonyms: 4-Amino-3-chloro-5-(trifluoromethyl)benzoicacid;
Density: 1.6 g/cm3
Melting Point: 228-236 oC
Boiling Point: 311.7 °C at 760 mmHg
Flash Point: 142.3 °C
PSA: 63.32000
LogP: 3.22040
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Specification

This chemical is called 4-Amino-3-chloro-5-(trifluoromethyl)benzoic acid, and it's also named as 4-Amino-3-chloro-5-(trifluoromethyl)benzoic acid. With the molecular formula of C8H5ClF3NO2, its molecular weight is 239.58. The CAS registry number of this chemical is 95656-52-3.

Other characteristics of the 4-Amino-3-chloro-5-(trifluoromethyl)benzoic acid can be summarised as followings: (1)ACD/LogP: 4.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.92; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 44.2; (6)ACD/BCF (pH 7.4): 1.44; (7)ACD/KOC (pH 5.5): 203.55; (8)ACD/KOC (pH 7.4): 6.62; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 47.29 cm3; (15)Molar Volume: 149.7 cm3; (16)Polarizability: 18.74×10-24cm3; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.6 g/cm3; (19)Flash Point: 142.3 °C; (20)Enthalpy of Vaporization: 58.34 kJ/mol; (21)Boiling Point: 311.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000238 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Clc1cc(cc(c1N)C(F)(F)F)C(=O)O
2.InChI: InChI=1/C8H5ClF3NO2/c9-5-2-3(7(14)15)1-4(6(5)13)8(10,11)12/h1-2H,13H2,(H,14,15)
3.InChIKey: LZLSLGVFHCTZAH-UHFFFAOYAZ