What is the molecular formula of 2,4,6-Tris(4-bromophenyl)-1,3,5-triazine?

The molecular formula is C21H12Br3N3.

When was the chemical first created and last modified in the reference?

The chemical was first created on 2005-08-08 and last modified on 2023-12-30.

What is the IUPAC name of 2,4,6-Tris(4-bromophenyl)-1,3,5-triazine?

The IUPAC name is 2,4,6-tris(4-bromophenyl)-1,3,5-triazine.

What is the InChIKey of 2,4,6-Tris(4-bromophenyl)-1,3,5-triazine?

The InChIKey is WZYVDGDZBNQVCF-UHFFFAOYSA-N.

How many hydrogen bond acceptors does the compound have?

The compound has 3 hydrogen bond acceptors.

What is the topological polar surface area of the compound?

The topological polar surface area is 38.7 Å^2.

Is the compound canonicalized according to PubChem?

Yes, the compound is canonicalized.

What is the exact mass of the compound?

The exact mass is 544.85609 g/mol.

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2,4,6-Tris(4-bromophenyl)-1,3,5-triazine

Name: 2,4,6-Tris(4-bromophenyl)-1,3,5-triazine
SKU: ACM30363032-1
Rating: 5 (1 reviews)

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Catalog NumberACM30363032-1

CAS Number30363-03-2

CategorySmall Molecule Semiconductor Building Blocks; Semiconductor Blocks

Synonyms

Tris(4-Bromophenyl)-1,3,5-Triazine

IUPAC Name

2,4,6-tris(4-bromophenyl)-1,3,5-triazine

Molecular Weight

546.05

Molecular Formula

C21H12Br3N3

Canonical SMILES

C1=CC(=CC=C1C2=NC(=NC(=N2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br

InChI

1S/C21H12Br3N3/c22-16-7-1-13(2-8-16)19-25-20(14-3-9-17(23)10-4-14)27-21(26-19)15-5-11-18(24)12-6-15/h1-12H

InChI Key

WZYVDGDZBNQVCF-UHFFFAOYSA-N

Boiling Point

633.4 at 760 mmHg

Melting Point

>300 °C

Purity

95%

Appearance

White powder

Storage

Keep in dark place,Sealed in dry,Room Temperature

Complexity

377

Covalently-Bonded Unit Count

Exact Mass

544.85609g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

542.85814g/mol

Rotatable Bond Count

XLogP3

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