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5-Nitropyrimidine

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Name

5-Nitropyrimidine

EINECS N/A
CAS No. 14080-32-1 Density 1.426 g/cm3
PSA 71.60000 LogP 0.90800
Solubility N/A Melting Point 56-58℃
Formula C4H3N3O2 Boiling Point 252.424 °C at 760 mmHg
Molecular Weight 125.087 Flash Point 106.463 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 14080-32-1 (Pyrimidine, 5-nitro- (8CI,9CI)) Hazard Symbols N/A
Synonyms

5-Nitropyrimidine;

Article Data 4

5-Nitropyrimidine Specification

This chemical is called Pyrimidine, 5-nitro-, and its systematic name is 5-nitropyrimidine. With the molecular formula of C4H3N3O2, its molecular weight is 125.09. The CAS registry number of this chemical is 14080-32-1. Additionally, its product category is Pyrimidine.

Other characteristics of the Pyrimidine, 5-nitro- can be summarised as followings: (1)ACD/LogP: -0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20; (8)ACD/KOC (pH 7.4): 20; (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: 1.575; (14)Molar Refractivity: 28.981 cm3; (15)Molar Volume: 87.723 cm3; (16)Polarizability: 11.489×10-24cm3; (17)Surface Tension: 67.084 dyne/cm; (18)Density: 1.426 g/cm3; (19)Flash Point: 106.463 °C; (20)Enthalpy of Vaporization: 46.997 kJ/mol; (21)Boiling Point: 252.424 °C at 760 mmHg; (22)Vapour Pressure: 0.031 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: [O-][N+](=O)c1cncnc1
2.InChI: InChI=1/C4H3N3O2/c8-7(9)4-1-5-3-6-2-4/h1-3H
3.InChIKey: NOYDQGFVFOQSAJ-UHFFFAOYAH

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