2-fluorobenzene-1,3,5-tricarbonitrile

Inquiry

Molecular Formula:

C9H2FN3

Molecular Weight:

171.13

CAS Number:

13519-91-0

Catalog Number:

13519-91-0

Product Information

Molecular Formula:

C9H2FN3

Molecular Weight:

171.13

IUPAC Name

2-fluorobenzene-1,3,5-tricarbonitrile

Canonical SMILES

C1=C(C=C(C(=C1C#N)F)C#N)C#N

InChI

InChI=1S/C9H2FN3/c10-9-7(4-12)1-6(3-11)2-8(9)5-13/h1-2H

InChI Key

QDJOGIDHYNTWNM-UHFFFAOYSA-N

Purity

98%

Computed Properties

XLogP3

1.2

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

171.02327524

Monoisotopic Mass

171.02327524

Topological Polar Surface Area

71.4

Heavy Atom Count

Formal Charge

Complexity

310

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
EP-3230403-B1	Organic compounds with soluble groups	2014-12-12
US-10683453-B2	Organic compounds with soluble groups	2014-12-12
WO-2016091353-A1	Organic compounds with soluble groups	2014-12-12
US-2016046563-A1	Synthetic building blocks for the production of materials for organic electroluminescence devices	2013-03-22
US-9718764-B2	Synthetic building blocks for the production of materials for organic electroluminescence devices	2013-03-22

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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2-fluorobenzene-1,3,5-tricarbonitrile

Product Information

Computed Properties

Patents

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