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Structure

2-Nitro-5-fluoropyridine N-oxide

CAS
935753-02-9
Catalog Number
ACM935753029
Category
Other Products
Molecular Weight
158.087323 [g/mol]
Molecular Formula
C5H3FN2O3
MSDS COA Spec Sheet

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Specification

Synonyms
2-Nitro-5-fluoropyridine N-oxide, 935753-02-9, AC1MC7TU, CTK5H2682, ZINC14983370, AG-H-82366, 5-fluoro-2-nitro-1-oxidopyridin-1-ium
IUPAC Name
5-fluoro-2-nitro-1-oxidopyridin-1-ium
Canonical SMILES
C1=CC(=[N+](C=C1F)[O-])[N+](=O)[O-]
InChI Key
VCULLFRHZQRKNL-UHFFFAOYSA-N
Boiling Point
403.9ºC at 760 mmHg
Flash Point
198.1ºC
Density
1.56g/cm³
Exact Mass
158.01300
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of 2-Nitro-5-fluoropyridine N-oxide?

The molecular formula of 2-Nitro-5-fluoropyridine N-oxide is C5H3FN2O3.

When was the compound 2-Nitro-5-fluoropyridine N-oxide created and modified?

The compound was created on July 19, 2005, and modified on December 30, 2023.

What is the IUPAC name of 2-Nitro-5-fluoropyridine N-oxide?

The IUPAC name is 5-fluoro-2-nitro-1-oxidopyridin-1-ium.

What is the Canonical SMILES notation for 2-Nitro-5-fluoropyridine N-oxide?

The Canonical SMILES notation is C1=CC(=[N+](C=C1F)[O-])[N+](=O)[O-].

What is the InChIKey for 2-Nitro-5-fluoropyridine N-oxide?

The InChIKey is VCULLFRHZQRKNL-UHFFFAOYSA-N.

What is the molecular weight of 2-Nitro-5-fluoropyridine N-oxide?

The molecular weight is 158.09 g/mol.

How many Hydrogen Bond Acceptor Count does 2-Nitro-5-fluoropyridine N-oxide have?

It has 4 Hydrogen Bond Acceptor Count.

What is the Topological Polar Surface Area of 2-Nitro-5-fluoropyridine N-oxide?

The Topological Polar Surface Area is 71.3 Ų.

How many Heavy Atoms are present in 2-Nitro-5-fluoropyridine N-oxide?

There are 11 Heavy Atoms present.

Is the compound 2-Nitro-5-fluoropyridine N-oxide canonicalized?

Yes, the compound is canonicalized.

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