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CAS No.: | 14001-69-5 |
---|---|
Name: | 2-methoxy-5-nitropyrimidine |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C5H5N3O3 |
Molecular Weight: | 155.113 |
Synonyms: | 2-Methoxy-5-nitropyrimidine;NSC 528725; |
Density: | 1.388g/cm3 |
Melting Point: | 168-169 °C |
Boiling Point: | 305.3 °C at 760 mmHg |
Flash Point: | 138.4 °C |
PSA: | 80.83000 |
LogP: | 0.91660 |
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The Pyrimidine,2-methoxy-5-nitro-, with CAS registry number 14001-69-5, has the systematic name of 2-methoxy-5-nitropyrimidine. Besides this, it is also called 2-methoxy-5-nitro-pyrimidine. Its molecular weight is 155.1115. And the chemical formula of this chemical is C5H5N3O3.
Physical properties of Pyrimidine,2-methoxy-5-nitro-: (1)ACD/LogP: -0.05; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 80.83 Å2; (7)Index of Refraction: 1.551; (8)Molar Refractivity: 35.65 cm3; (9)Molar Volume: 111.7 cm3; (10)Polarizability: 14.13×10-24cm3; (11)Surface Tension: 57.5 dyne/cm; (12)Density: 1.388 g/cm3; (13)Flash Point: 138.4 °C; (14)Enthalpy of Vaporization: 52.39 kJ/mol; (15)Boiling Point: 305.3 °C at 760 mmHg; (16)Vapour Pressure: 0.0015 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cnc(OC)nc1
(2)InChI: InChI=1/C5H5N3O3/c1-11-5-6-2-4(3-7-5)8(9)10/h2-3H,1H3
(3)InChIKey: ZPUHFIFABZPKHA-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C5H5N3O3/c1-11-5-6-2-4(3-7-5)8(9)10/h2-3H,1H3
(5)Std. InChIKey: ZPUHFIFABZPKHA-UHFFFAOYSA-N