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CAS No.: | 2965-22-2 |
---|---|
Name: | METHYL 2-FLUORO-5-NITROBENZOATE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C8H6FNO4 |
Molecular Weight: | 199.138 |
Synonyms: | 2-Fluoro-5-nitrobenzoicacid methyl ester;Methyl 2-fluoro-5-nitrobenzoate; |
Density: | 1.388 g/cm3 |
Melting Point: | 49-51℃ |
Boiling Point: | 302.8 °C at 760 mmHg |
Flash Point: | 136.9 °C |
PSA: | 72.12000 |
LogP: | 2.04370 |
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The Methyl 2-fluoro-5-nitrobenzenecarboxylate, with the CAS registry number 2965-22-2, is also known as 2-Fluoro-5-nitrobenzoic acid methyl ester. This chemical's molecular formula is C8H6FNO4 and molecular weight is 199.1359. Its systematic name is called methyl 2-fluoro-5-nitrobenzoate.
Physical properties of Methyl 2-fluoro-5-nitrobenzenecarboxylate: (1)ACD/LogP: 1.37; (2)ACD/LogD (pH 5.5): 1.37; (3)ACD/LogD (pH 7.4): 1.37; (4)ACD/BCF (pH 5.5): 6.48; (5)ACD/BCF (pH 7.4): 6.48; (6)ACD/KOC (pH 5.5): 132.57; (7)ACD/KOC (pH 7.4): 132.57; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.533; (11)Molar Refractivity: 44.56 cm3; (12)Molar Volume: 143.3 cm3; (13)Surface Tension: 46.6 dyne/cm; (14)Density: 1.388 g/cm3; (15)Flash Point: 136.9 °C; (16)Enthalpy of Vaporization: 54.31 kJ/mol; (17)Boiling Point: 302.8 °C at 760 mmHg; (18)Vapour Pressure: 0.000967 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(ccc1F)[N+]([O-])=O
(2)InChI: InChI=1/C8H6FNO4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,1H3
(3)InChIKey: JZLONOOYIXEAHM-UHFFFAOYAN