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4,4'-(3,8-Dibromopyrene-1,6-diyl)dibenzaldehyde

4,4'-(3,8-Dibromopyrene-1,6-diyl)dibenzaldehyde

Name: 4,4'-(3,8-Dibromopyrene-1,6-diyl)dibenzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Molecular Formula:

C30H16Br2O2

Molecular Weight:

568.25

CAS Number:

2375652-83-6

Catalog Number:

2375652-83-6

Product Information

Molecular Formula:

C30H16Br2O2

Molecular Weight:

568.25

Synonyms

4,4'-(3,8-Dibromopyrene-1,6-diyl)dibenzaldehyde

IUPAC Name

4-[3,8-dibromo-6-(4-formylphenyl)pyren-1-yl]benzaldehyde

Canonical SMILES

C1=CC(=CC=C1C=O)C2=CC(=C3C=CC4=C5C3=C2C=CC5=C(C=C4C6=CC=C(C=C6)C=O)Br)Br

InChI

InChI=1S/C30H16Br2O2/c31-27-13-25(19-5-1-17(15-33)2-6-19)21-9-11-24-28(32)14-26(20-7-3-18(16-34)4-8-20)22-10-12-23(27)29(21)30(22)24/h1-16H

InChI Key

DITDMFDMVGSRLM-UHFFFAOYSA-N

Purity

97%

Computed Properties

XLogP3

8.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

567.94966

Monoisotopic Mass

565.9517

Topological Polar Surface Area

34.1

Heavy Atom Count

Formal Charge

Complexity

678

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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4,4'-(3,8-Dibromopyrene-1,6-diyl)dibenzaldehyde

Product Information

Computed Properties

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