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CAS No.: | 603-87-2 |
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Name: | 2-amino-6-nitro-phenol |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C6H6N2O3 |
Molecular Weight: | 154.125 |
Synonyms: | 2-Amino-6-nitrophenol;2-Hydroxy-3-nitroaniline;2-Nitro-6-aminophenol;NSC 87541; |
Density: | 1.511 g/cm3 |
Melting Point: | >280 °C |
Boiling Point: | 280.3 °C at 760 mmHg |
Flash Point: | 123.3 °C |
PSA: | 92.07000 |
LogP: | 1.98700 |
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This chemical is called Phenol, 2-amino-6-nitro-, and its systematic name is 2-Nitro-6-aminophenol. With the molecular formula of C6H6N2O3, its molecular weight is 154.12. The CAS registry number of this chemical is 603-87-2.
Other characteristics of the Phenol, 2-amino-6-nitro- can be summarised as followings: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 6.09; (6)ACD/BCF (pH 7.4): 1.67; (7)ACD/KOC (pH 5.5): 124.56; (8)ACD/KOC (pH 7.4): 34.08; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 58.29 Å2; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 38.91 cm3; (15)Molar Volume: 101.9 cm3; (16)Polarizability: 15.42×10-24cm3; (17)Surface Tension: 78.5 dyne/cm; (18)Density: 1.511 g/cm3; (19)Flash Point: 123.3 °C; (20)Enthalpy of Vaporization: 53.99 kJ/mol; (21)Boiling Point: 280.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00224 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1cccc(N)c1O
2.InChI: InChI=1/C6H6N2O3/c7-4-2-1-3-5(6(4)9)8(10)11/h1-3,9H,7H2
3.InChIKey: AACMNEWXGKOJJK-UHFFFAOYAD