Name: Methyl 2-fluoro-4-nitrobenzenecarboxylate
SKU: 392-09-6

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Basic Information

Molecular Structure:
CAS No.:	392-09-6
Name:	Methyl 2-fluoro-4-nitrobenzenecarboxylate
Article Data:	17

Formula:	C₈H₆FNO₄
Molecular Weight:	199.138
Synonyms:	Methyl 2-fluoro-4-nitrobenzoate;Methyl 2-chloro-6-methoxyisonicotinate;
EINECS:	206-873-6
Density:	1.388 g/cm³
Melting Point:	73-75°C
Boiling Point:	314.6 °C at 760 mmHg
Flash Point:	144.1 °C
Hazard Symbols:	Xi
PSA:	72.12000
LogP:	2.04370

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Specification

The Methyl 2-fluoro-4-nitrobenzenecarboxylate, with the CAS registry number 392-09-6, is also known as Methyl 2-chloro-6-methoxyisonicotinate. Its EINECS number is 206-873-6. This chemical's molecular formula is C₈H₆FNO₄and molecular weight is 199.14. What's more, its systematic name is methyl 2-fluoro-4-nitrobenzoate.

Physical properties of Methyl 2-fluoro-4-nitrobenzenecarboxylate are: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.45; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 7.45; (6)ACD/BCF (pH 7.4): 7.45; (7)ACD/KOC (pH 5.5): 146.55; (8)ACD/KOC (pH 7.4): 146.55; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.12 Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 44.56 cm³; (15)Molar Volume: 143.3 cm³; (16)Polarizability: 17.66×10^-24cm³; (17)Surface Tension: 46.6 dyne/cm; (18)Density: 1.388 g/cm³; (19)Flash Point: 144.1 °C; (20)Enthalpy of Vaporization: 55.58 kJ/mol; (21)Boiling Point: 314.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00046 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])F
(2)InChI: InChI=1S/C8H6FNO4/c1-14-8(11)6-3-2-5(10(12)13)4-7(6)9/h2-4H,1H3
(3)InChIKey: KJCVCRCYCOWPFY-UHFFFAOYSA-N