4-Bromo-4'-iodobiphenyl

• Catalog Number: ACM105946825-1
• Product Name: 4-Bromo-4'-iodobiphenyl
• CAS: 105946-82-5
• Category: Bromine Series
• IUPAC Name: 1-bromo-4-(4-iodophenyl)benzene
• Molecular Weight: 359g/mol
• Molecular Formula: C12H8BrI
• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)I)Br
• InChI: InChI=1S/C12H8BrI/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
• InChI Key: GWOAJJWBCSUGHH-UHFFFAOYSA-N
• Complexity: 167
• Covalently-Bonded Unit Count: 1
• Exact Mass: 357.88541g/mol
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 14
• Monoisotopic Mass: 357.88541g/mol
• Rotatable Bond Count: 1
• XLogP3: 5.7

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is 5-bromo-5-iodo-2-phenylcyclohexa-1,3-diene.

What is the molecular formula of the compound?

The molecular formula of the compound is C12H10BrI.

What is the molecular weight of the compound?

The molecular weight of the compound is 361.02 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C12H10BrI/c13-12(14)8-6-11(7-9-12)10-4-2-1-3-5-10/h1-8H,9H2.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1C=C(C=CC1(Br)I)C2=CC=CC=C2.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 4.2.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many rotatable bond counts does the compound have?

The compound has 1 rotatable bond count.

Is the compound canonicalized?

Yes, the compound is canonicalized.