CAS No.76439-45-7,3-CHLORO-4-NITROPYRIDINE N-OXIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	76439-45-7
Name:	3-CHLORO-4-NITROPYRIDINE N-OXIDE
Article Data:	10

Formula:	C₅H₃ClN₂O₃
Molecular Weight:	174.54192
Synonyms:	3-Chloro-4-nitropyridine1-oxide;3-Chloro-4-nitropyridine N-oxide;4-Nitro-3-chloropyridine 1-oxide;4-Nitro-3-chloropyridine-N-oxide;3-chloro-4-nitro-1-oxidopyridin-1-ium;
Density:	1.62g/cm3
Melting Point:	115 °C
Boiling Point:	425.5oC at 760 mmHg
Flash Point:	211.1oC
Risk Codes:	36
Safety:	26
PSA:	71.28000
LogP:	2.19990

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Specification

The Pyridine,3-chloro-4-nitro-, 1-oxide, with the CAS registry number 76439-45-7, has the IUPAC name of 3-chloro-4-nitro-1-oxidopyridin-1-ium. It belongs to the product categories of Pharmacetical and Pyridines. And the molecular formula of the chemical is C₅H₃ClN₂O₃.

The characteristics of Pyridine,3-chloro-4-nitro-, 1-oxide are as followings: (1)XLogP3-AA 0.3 ; (2)H-Bond Donor 0 ; (3)H-Bond Acceptor 3 ; (4)Rotatable Bond Count 0; (5)Exact Mass 173.98322; (6)MonoIsotopic Mass 173.98322; (7)Topological Polar Surface Area 71.3; (8)Heavy Atom Count 11; (9)Formal Charge 0; (10)Complexity 160; (11)Isotope Atom Count 0; (12)Defined Atom StereoCenter Count 0; (13)Undefined Atom StereoCenter Count 0; (14)Defined Bond StereoCenter Count 0; (15)Undefined Bond StereoCenter Count 0; (16)Covalently-Bonded Unit Count 1; (17)Feature 3D Acceptor Count 2; (18)Feature 3D Anion Count 2; (19)Feature 3D Ring Count 1.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cn(O)ccc1[N+]([O-])=O
(2)InChI: InChI=1/C5H4ClN2O3/c6-4-3-7(9)2-1-5(4)8(10)11/h1-3,9H
(3)InChIKey: CCBRGTGUGMAFGY-UHFFFAOYAF