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| CAS No.: | 179816-26-3 |
|---|---|
| Name: | Phenol, 2-fluoro-3-nitro- (9CI) |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C6H4FNO3 |
| Molecular Weight: | 157.101 |
| Synonyms: | Phenol, 2-fluoro-3-nitro- (9CI);2-Fluoro-3-nitrophenol, 95+% |
| Density: | 1.511 g/cm3 |
| Boiling Point: | 266.5 °C at 760 mmHg |
| Flash Point: | 115 °C |
| PSA: | 66.05000 |
| LogP: | 1.96270 |
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Specification
This chemical is called Phenol, 2-fluoro-3-nitro-, and its systematic name is 2-fluoro-3-nitrophenol. With the molecular formula of C6H4FNO3, its molecular weight is 157.10. The CAS registry number of this chemical is 179816-26-3. Additionally, its product categories are Halide.
Other characteristics of the Phenol, 2-fluoro-3-nitro- can be summarised as followings: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 14.83; (6)ACD/BCF (pH 7.4): 12.49; (7)ACD/KOC (pH 5.5): 239.7; (8)ACD/KOC (pH 7.4): 201.9; (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: 1.581; (14)Molar Refractivity: 34.67 cm3; (15)Molar Volume: 103.9 cm3; (16)Polarizability: 13.74×10-24cm3; (17)Surface Tension: 56.4 dyne/cm; (18)Density: 1.511 g/cm3; (19)Flash Point: 115 °C; (20)Enthalpy of Vaporization: 52.48 kJ/mol; (21)Boiling Point: 266.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00523 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1c(cccc1O)N(=O)=O
2.InChI: InChI=1/C6H4FNO3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H
3.InChIKey: QZOGSUCWBIPKDC-UHFFFAOYAB