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405230-81-1

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Basic Information
CAS No.: 405230-81-1
Name: PYRIDINE, 2,5-DICHLORO-4-NITRO-, 1-OXIDE
Article Data: 4
Molecular Structure:
Molecular Structure of 405230-81-1 (PYRIDINE, 2,5-DICHLORO-4-NITRO-, 1-OXIDE)
Formula: C5H2Cl2N2O3
Molecular Weight: 208.988
Synonyms: 2,5-Dichloro-4-nitropyridine 1-oxide;
Density: 1.793 g/cm3
Boiling Point: 429.3 °C at 760 mmHg
Flash Point: 213.433 °C
PSA: 71.28000
LogP: 2.85330
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Specification

The Pyridine, 2, 5-dichloro-4-nitro-, 1-oxide, with the CAS registry number 405230-81-1, is also known as 2, 5-Dichloro-4-nitropyridine N-oxide. This chemical's molecular formula is C5H2Cl2N2O3 and molecular weight is 208.99. What's more, its systematic name is 2, 5-Dichloro-4-nitropyridine 1-oxide.

Physical properties about Pyridine, 2, 5-dichloro-4-nitro-, 1-oxide are: (1)ACD/LogP: 0.65; (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): 42; (8)ACD/KOC (pH 7.4): 42; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.28 Å2; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 42.704 cm3; (15)Molar Volume: 116.558 cm3; (16)Polarizability: 16.929×10-24 cm3; (17)Surface Tension: 68.677 dyne/cm; (18)Density: 1.793 g/cm3; (19)Flash Point: 213.433 °C; (20)Enthalpy of Vaporization: 65.81 kJ/mol; (21)Boiling Point: 429.3 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1Cl
(2) InChI: InChI=1/C5H2Cl2N2O3/c6-3-2-8(10)5(7)1-4(3)9(11)12/h1-2H
(3) InChIKey: XXLFCBBWDXLUOK-UHFFFAOYAC