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62802-41-9

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Basic Information
CAS No.: 62802-41-9
Name: 2-FLUORO-5-NITROPYRIMIDINE
Molecular Structure:
Molecular Structure of 62802-41-9 (2-FLUORO-5-NITROPYRIMIDINE)
Formula: C4H2FN3O2
Molecular Weight: 143.077
Synonyms: Pyrimidine, 2-fluoro-5-nitro- (9CI);
Density: 1.556 g/cm3
Boiling Point: 330.0±34.0 °C(Predicted)
Flash Point: 153.4 °C
PSA: 71.60000
LogP: 1.04710
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Specification

The Pyrimidine,2-fluoro-5-nitro-, with the CAS registry number of 62802-41-9, is also known as Pyrimidine, 2-fluoro-5-nitro- (9CI). It belongs to the product category of Pyrimidine. This chemical's molecular formula is C4H2FN3O2 and molecular weight is 143.08. What's more, its systematic name is 2-Fluoro-5-nitropyrimidine.

Physical properties about the Pyrimidine,2-fluoro-5-nitro- are: (1)ACD/LogP: -0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.25; (4)ACD/LogD (pH 7.4): -0.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.42; (8)ACD/KOC (pH 7.4): 17.42; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.6 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 28.97 cm3; (15)Molar Volume: 91.9 cm3; (16)Surface Tension: 62.2 dyne/cm; (17)Density: 1.556 g/cm3; (18)Flash Point: 153.4 °C; (19)Enthalpy of Vaporization: 54.98 kJ/mol; (20)Boiling Point: 330 °C at 760 mmHg; (21)Vapour Pressure: 0.000329 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1cnc(F)nc1
(2) InChI: InChI=1/C4H2FN3O2/c5-4-6-1-3(2-7-4)8(9)10/h1-2H
(3) InChIKey: WCDBZXCLAVZHBQ-UHFFFAOYAY