Name: Pyrimidine, 5-nitro- (8CI,9CI)
SKU: 14080-32-1

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Basic Information

Molecular Structure:
CAS No.:	14080-32-1
Name:	Pyrimidine, 5-nitro- (8CI,9CI)
Article Data:	4

Formula:	C₄H₃N₃O₂
Molecular Weight:	125.087
Synonyms:	5-Nitropyrimidine;
Density:	1.426 g/cm³
Melting Point:	56-58℃
Boiling Point:	252.424 °C at 760 mmHg
Flash Point:	106.463 °C
PSA:	71.60000
LogP:	0.90800

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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