Phenol,3-amino-4-nitro- (16292-90-3)

The 3-Amino-4-nitrophenol, with the CAS registry number 16292-90-3, is also known as Phenol, 3-amino-4-nitro-. This chemical's molecular formula is C₆H₆N₂O₃ and molecular weight is 154.12. Its IUPAC name is called 3-amino-4-nitrophenol.

Physical properties of 3-Amino-4-nitrophenol: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 1.42; (5)ACD/BCF (pH 5.5): 9.49; (6)ACD/BCF (pH 7.4): 6.45; (7)ACD/KOC (pH 5.5): 173.96; (8)ACD/KOC (pH 7.4): 118.27; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.688; (13)Molar Refractivity: 38.91 cm³; (14)Molar Volume: 101.9 cm³; (15)Surface Tension: 78.5 dyne/cm; (16)Density: 1.511 g/cm³; (17)Flash Point: 193.4 °C; (18)Enthalpy of Vaporization: 67.16 kJ/mol; (19)Boiling Point: 396.1 °C at 760 mmHg; (20)Vapour Pressure: 7.67E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1O)N)[N+](=O)[O-]
(2)InChI: InChI=1S/C6H6N2O3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H,7H2
(3)InChIKey: WGEZJWMZNGUEHR-UHFFFAOYSA-N