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2,2-Bis(4-carbamoyl-3-nitrophenyl)hexafluoropropane

2,2-Bis(4-carbamoyl-3-nitrophenyl)hexafluoropropane

Inquiry

Molecular Formula:

C17H10F6N4O6

Molecular Weight:

480.27

CAS Number:

887267-99-4

Catalog Number:

887267-99-4

Product Information

Molecular Formula:

C17H10F6N4O6

Molecular Weight:

480.27

Synonyms

4,4'-(perfluoropropane-2,2-diyl)bis(2-nitrobenzamide); 2,2-Bis(4-carbamoyl-3-nitrophenyl)hexafluoropropane 97%; 4,4'-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[2-nitrobenzamide]

IUPAC Name

4-[2-(4-carbamoyl-3-nitrophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-nitrobenzamide

Canonical SMILES

C1=CC(=C(C=C1C(C2=CC(=C(C=C2)C(=O)N)[N+](=O)[O-])(C(F)(F)F)C(F)(F)F)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C17H10F6N4O6/c18-16(19,20)15(17(21,22)23,7-1-3-9(13(24)28)11(5-7)26(30)31)8-2-4-10(14(25)29)12(6-8)27(32)33/h1-6H,(H2,24,28)(H2,25,29)

InChI Key

KXRNAADRWFLSAN-UHFFFAOYSA-N

Purity

98%

Computed Properties

XLogP3

3.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

480.05045302

Monoisotopic Mass

480.05045302

Topological Polar Surface Area

178

Heavy Atom Count

Formal Charge

Complexity

742

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

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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Volume _(start)

Concentration _(final)

Volume _(final)

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2,2-Bis(4-carbamoyl-3-nitrophenyl)hexafluoropropane

Product Information

Computed Properties

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