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56987-02-1

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Basic Information
CAS No.: 56987-02-1
Name: 2-Amino-5-nitro-4-(trifluoromethyl)phenol (FLU-3)
Molecular Structure:
Molecular Structure of 56987-02-1 (2-Amino-5-nitro-4-(trifluoromethyl)phenol (FLU-3))
Formula: C7H5F3N2O3
Molecular Weight: 222.12
Synonyms: 2-Amino-5-nitro-4-(trifluoromethyl)phenol;
Density: 1.639 g/cm3
Boiling Point: 365.5 °C at 760 mmHg
Flash Point: 174.8 °C
PSA: 92.07000
LogP: 3.00580
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Specification

The Phenol, 2-amino-5-nitro-4-(trifluoromethyl)- has the CAS registry number 56987-02-1. This chemical's molecular formula is C7H5F3N2O3 and molecular weight is 222.12. What's more, its systematic name is 2-amino-5-nitro-4-(trifluoromethyl)phenol. 

Physical properties of Phenol, 2-amino-5-nitro-4-(trifluoromethyl)- are: (1)ACD/LogP: 3.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.86; (4)ACD/LogD (pH 7.4): 2.98; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 92.07 Å2; (9)Index of Refraction: 1.561; (10)Molar Refractivity: 43.89 cm3; (11)Molar Volume: 135.4 cm3; (12)Polarizability: 17.4×10-24cm3; (13)Surface Tension: 50.2 dyne/cm; (14)Density: 1.639 g/cm3; (15)Flash Point: 174.8 °C; (16)Enthalpy of Vaporization: 63.59 kJ/mol; (17)Boiling Point: 365.5 °C at 760 mmHg; (18)Vapour Pressure: 7.43E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(c(cc(c1N)O)[N+](=O)[O-])C(F)(F)F
(2)InChI: InChI=1S/C7H5F3N2O3/c8-7(9,10)3-1-4(11)6(13)2-5(3)12(14)15/h1-2,13H,11H2
(3)InChIKey: FKHIQXACMFXULG-UHFFFAOYSA-N