4,4''-Dibromo-p-terphenyl

• CAS: 17788-94-2
• Catalog Number: ACM17788942-1
• Category: Main Products
• Molecular Weight: 388.1
• Molecular Formula: C18H12Br2
• Synonyms: 1,4-bis(4-bromophenyl)benzene
• IUPAC Name: 1,4-bis(4-bromophenyl)benzene
• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br
• InChI: InChI=1S/C18H12Br2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12H
• InChI Key: VAIPJQIPFPRJKJ-UHFFFAOYSA-N
• Boiling Point: 315 °C
• Melting Point: 315 °C
• Appearance: White to gray to brown powder to crystal
• Complexity: 250
• Covalently-Bonded Unit Count: 1
• Exact Mass: 387.92853g/mol
• Formal Charge: 0
• Hazard Statements: H302 : Harmful if swallowed.
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 20
• Monoisotopic Mass: 385.93058g/mol
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.
• Rotatable Bond Count: 2
• Signal Word: Warning
• XLogP3: 7.3

Custom Q&A

What is the molecular formula of the compound with PubChem CID 13660413?

The molecular formula is C15H16N2O.

What are some synonyms for the compound with PubChem CID 13660413?

Some synonyms include 3-amino-N-(2,4-dimethylphenyl)benzamide and 4,4-Dibromo-p-terphenyl.

When was the compound with PubChem CID 13660413 created and last modified?

It was created on 2007-02-08 and last modified on 2023-11-25.

What is the molecular weight of the compound with PubChem CID 13660413?

The molecular weight is 240.30 g/mol.

What is the IUPAC name of the compound with PubChem CID 13660413?

The IUPAC name is 3-amino-N-(2,4-dimethylphenyl)benzamide.

What is the InChI key of the compound with PubChem CID 13660413?

The InChI key is KUOKLERLHHRXPU-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound with PubChem CID 13660413 have?

The compound has 2 hydrogen bond donor counts.

What is the exact mass of the compound with PubChem CID 13660413?

The exact mass is 240.126263138 g/mol.

How many rotatable bond counts does the compound with PubChem CID 13660413 have?

The compound has 2 rotatable bond counts.

Is the compound with PubChem CID 13660413 canonicalized?

Yes, the compound is canonicalized.