4-Bromotriphenylamine

• Catalog Number: ACM36809264
• Product Name: 4-Bromotriphenylamine
• CAS: 36809-26-4
• Category: Bromine Series
• IUPAC Name: 4-bromo-N,N-diphenylaniline
• Molecular Weight: 324.2g/mol
• Molecular Formula: C18H14BrN
• Canonical SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)Br
• InChI: InChI=1S/C18H14BrN/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H
• InChI Key: SQTLUXJWUCHKMT-UHFFFAOYSA-N
• Complexity: 255
• Covalently-Bonded Unit Count: 1
• Exact Mass: 323.03096g/mol
• Formal Charge: 0
• Hazard Statements: H410
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 20
• Monoisotopic Mass: 323.03096g/mol
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 3
• Symbol: GHS09
• XLogP3: 6.4

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-bromo-N,N-diphenylaniline.

What is the molecular formula of the compound?

The molecular formula of the compound is C18H14BrN.

What is the molecular weight of the compound?

The molecular weight of the compound is 324.2 g/mol.

What is the CAS number of the compound?

The CAS number of the compound is 36809-26-4.

What is the InChIKey of the compound?

The InChIKey of the compound is SQTLUXJWUCHKMT-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 1 hydrogen bond acceptor count.

How many rotatable bond counts does the compound have?

The compound has 3 rotatable bond counts.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 3.2Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.