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CAS No.: | 123173-60-4 |
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Name: | 2,3-difluoro-4-nitro-Phenol |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H3F2NO3 |
Molecular Weight: | 175.092 |
Synonyms: | Phenol,2,3-difluoro-4-nitro;2,3-Difluoro-4-nitro-phenol;difluoronitrophenol; |
Density: | 1.619 g/cm3 |
Boiling Point: | 307.391 °C at 760 mmHg |
Flash Point: | 139.705 °C |
PSA: | 66.05000 |
LogP: | 2.10180 |
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The 2,3-Difluoro-4-nitrophenol, with the CAS registry number 123173-60-4, is also known as Phenol, 2,3-difluoro-4-nitro-. This chemical's molecular formula is C6H3F2NO3 and molecular weight is 175.09. What's more, its systematic name is 2,3-Difluoro-4-nitrophenol.
Physical properties of 2,3-Difluoro-4-nitrophenol are: (1)ACD/LogP: 1.746; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): -0.61; (5)ACD/BCF (pH 5.5): 2.89; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 48.97; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.05 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 34.668 cm3; (15)Molar Volume: 108.124 cm3; (16)Polarizability: 13.743×10-24cm3; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.619 g/cm3; (19)Flash Point: 139.705 °C; (20)Enthalpy of Vaporization: 56.986 kJ/mol; (21)Boiling Point: 307.391 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(ccc(O)c1F)N(=O)=O
(2)Std. InChI: InChI=1S/C6H3F2NO3/c7-5-3(9(11)12)1-2-4(10)6(5)8/h1-2,10H
(3)Std. InChIKey: FCCFXVJUDSQIMG-UHFFFAOYSA-N