1,3,5-Tris(3-bromophenyl)benzene

• Catalog Number: ACM96761852
• Product Name: 1,3,5-Tris(3-bromophenyl)benzene
• CAS: 96761-85-2
• Category: Bromine Series
• Synonyms: 1,3,5-TRIS(3-BROMOPHENYL)BENZENE;1,3,5-tri-(3-bromophenyl)benzene
• IUPAC Name: 1,3,5-tris(3-bromophenyl)benzene
• Molecular Weight: 543.1
• Molecular Formula: C24H15Br3
• Canonical SMILES: C1=CC(=CC(=C1)Br)C2=CC(=CC(=C2)C3=CC(=CC=C3)Br)C4=CC(=CC=C4)Br
• InChI: InChI=1S/C24H15Br3/c25-22-7-1-4-16(13-22)19-10-20(17-5-2-8-23(26)14-17)12-21(11-19)18-6-3-9-24(27)15-18/h1-15H
• InChI Key: JKCQADHKVQXKFF-UHFFFAOYSA-N
• Melting Point: 172 °C
• Appearance: White to Almost white powder to crystal
• Complexity: 388
• Covalently-Bonded Unit Count: 1
• Exact Mass: 541.87034g/mol
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 27
• MDL Number: MFCD02323390
• Monoisotopic Mass: 539.87239g/mol
• Rotatable Bond Count: 3
• XLogP3: 8.9

Custom Q&A

What is the molecular formula of 1,3,5-Tris(3-bromophenyl)benzene?

The molecular formula is C24H15Br3.

What is the molecular weight of 1,3,5-Tris(3-bromophenyl)benzene?

The molecular weight is 543.1 g/mol.

What is the IUPAC name of 1,3,5-Tris(3-bromophenyl)benzene?

The IUPAC name is 1,3,5-tris(3-bromophenyl)benzene.

What is the InChI code of 1,3,5-Tris(3-bromophenyl)benzene?

The InChI code is InChI=1S/C24H15Br3/c25-22-7-1-4-16(13-22)19-10-20(17-5-2-8-23(26)14-17)12-21(11-19)18-6-3-9-24(27)15-18/h1-15H.

What is the InChIKey of 1,3,5-Tris(3-bromophenyl)benzene?

The InChIKey is JKCQADHKVQXKFF-UHFFFAOYSA-N.

What is the canonical SMILES of 1,3,5-Tris(3-bromophenyl)benzene?

The canonical SMILES is C1=CC(=CC(=C1)Br)C2=CC(=CC(=C2)C3=CC(=CC=C3)Br)C4=CC(=CC=C4)Br.

What is the CAS number of 1,3,5-Tris(3-bromophenyl)benzene?

The CAS number is 96761-85-2.

What is the XLogP3-AA value of 1,3,5-Tris(3-bromophenyl)benzene?

The XLogP3-AA value is 8.9.

Is 1,3,5-Tris(3-bromophenyl)benzene a canonicalized compound?

Yes, it is a canonicalized compound.