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CAS No.: | 660432-43-9 |
---|---|
Name: | (2-fluoro-4-nitrophenyl)methanol |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C7H6FNO3 |
Molecular Weight: | 171.128 |
Synonyms: | Benzenemethanol,2-fluoro-4-nitro;4-nitro-2-fluorobenzyl alcohol;(2-fluoro-4-nitro-phenyl)methanol;2-Fluoro-4-nitrobenzyl alcohol;3-Fluoro-4-(hydroxymethyl)nitrobenzene; |
Density: | 1.434 g/cm3 |
Melting Point: | 103-105℃ |
Boiling Point: | 319.9 °C at 760 mmHg |
Flash Point: | 147.3 °C |
PSA: | 66.05000 |
LogP: | 1.74940 |
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The Benzenemethanol, 2-fluoro-4-nitro- has CAS registry number 660432-43-9. This chemical's molecular formula is C7H6FNO3 and molecular weight is 171.1258. What's more, its systematic name is (2-Fluoro-4-nitrophenyl)methanol.
Physical properties about Benzenemethanol, 2-fluoro-4-nitro- are: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.72; (4)ACD/LogD (pH 7.4): 0.72; (5)ACD/BCF (pH 5.5): 2.06; (6)ACD/BCF (pH 7.4): 2.06; (7)ACD/KOC (pH 5.5): 58.43; (8)ACD/KOC (pH 7.4): 58.43; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 66.05 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 39.24 cm3; (15)Molar Volume: 119.3 cm3; (16)Polarizability: 15.55×10-24 cm3; (17)Surface Tension: 54 dyne/cm; (18)Density: 1.434 g/cm3; (19)Flash Point: 147.3 °C; (20)Enthalpy of Vaporization: 59.28 kJ/mol; (21)Boiling Point: 319.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000137 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCc1ccc(cc1F)N(=O)=O
(2) InChI: InChI=1/C7H6FNO3/c8-7-3-6(9(11)12)2-1-5(7)4-10/h1-3,10H,4H2
(3) InChIKey: XYGZVFTWIGGORD-UHFFFAOYAI