2-Allyloxy-1,3,5-tribromobenzene

Inquiry

Molecular Formula:

C9H7Br3O

Molecular Weight:

370.86

CAS Number:

3278-89-5

Catalog Number:

3278-89-5

Product Information

Molecular Formula:

C9H7Br3O

Molecular Weight:

370.86

Description

2-Allyloxy-1,3,5-tribromobenzene is a specialized organic compound mainly used in the biomedical field for cancer research. It aids in the synthesis of drugs designed to inhibit cancer cell growth and division, especially in combating breast and lung cancer.

Synonyms

1,3,5-tribromo-2-(2-propenyloxy)-benzen; Benzene,1,3,5-tribromo-2-(2-propenyloxy); TRIBROMOPHENYL ALLYL ETHER; ALLYL 2,4,6-TRIBROMOPHENYL ETHER; ALLYL TRIBROMOPHENYL ETHER; 2-allyloxy-1,3,5-tribromobenzene

IUPAC Name

1,3,5-tribromo-2-prop-2-enoxybenzene

Canonical SMILES

C=CCOC1=C(C=C(C=C1Br)Br)Br

InChI

InChI=1S/C9H7Br3O/c1-2-3-13-9-7(11)4-6(10)5-8(9)12/h2,4-5H,1,3H2

InChI Key

RZLLIOPGUFOWOD-UHFFFAOYSA-N

Boiling Point

339.5ºC at 760mmHg

Melting Point

74-76ºC

Flash Point

Not applicable

Purity

95%

Density

1.95g/cm3

Computed Properties

XLogP3

4.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

369.80265 g/mol

Monoisotopic Mass

367.80470 g/mol

Topological Polar Surface Area

9.2Å²

Heavy Atom Count

Formal Charge

Complexity

162

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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2-Allyloxy-1,3,5-tribromobenzene

Product Information

Computed Properties

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