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63785-86-4

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Basic Information
CAS No.: 63785-86-4
Name: 3-Bromopyridine N-oxide hydrochloride
Molecular Structure:
Molecular Structure of 63785-86-4 (3-Bromopyridine N-oxide hydrochloride)
Formula: C5H5BrClNO
Molecular Weight: 210.458
Synonyms: Pyridine,3-bromo-, 1-oxide, compd. with hydrochloric acid (7CI);Pyridine, 3-bromo-,1-oxide, hydrochloride (6CI,9CI);
Boiling Point: 351.9 °C at 760 mmHg
Flash Point: 166.6 °C
PSA: 25.46000
LogP: 2.67960
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Specification

The Pyridine, 3-bromo-, 1-oxide, hydrochloride (1:1), with the CAS registry number 63785-86-4, is also known as 3-Bromopyridine N-oxide hydrochloride. This chemical's molecular formula is C5H5BrClNO and molecular weight is 210.46. What's more, its systematic name is 3-Bromopyridine 1-oxide hydrochloride.

Physical properties about Pyridine, 3-bromo-, 1-oxide, hydrochloride (1:1) are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 2; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 0; (5)Polar Surface Area: 25.46 Å2; (6)Flash Point: 166.6 °C; (7)Enthalpy of Vaporization: 60.84 kJ/mol; (8)Boiling Point: 351.9 °C at 760 mmHg; (9)Vapour Pressure: 2.8E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.[O-][n+]1cccc(Br)c1
(2) InChI: InChI=1/C5H4BrNO.ClH/c6-5-2-1-3-7(8)4-5;/h1-4H;1H
(3) InChIKey: VJMWFTNOBOUFRF-UHFFFAOYAW