1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene

• CAS: 168971-68-4
• Catalog Number: ACM168971684
• Category: Bromine Series
• Molecular Weight: 259
• Molecular Formula: C7H3BrF4O
• Synonyms: Benzene, 1-bromo-2-fluoro-4-(trifluoromethoxy)-
• IUPAC Name: 1-bromo-2-fluoro-4-(trifluoromethoxy)benzene
• Canonical SMILES: C1=CC(=C(C=C1OC(F)(F)F)F)Br
• InChI: InChI=1S/C7H3BrF4O/c8-5-2-1-4(3-6(5)9)13-7(10,11)12/h1-3H
• InChI Key: KZMHSGBETSENAT-UHFFFAOYSA-N
• Boiling Point: 158.5±35.0 ºC
• Density: 1.724±0.06 g/ml

Custom Q&A

What is the molecular formula of 1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene?

The molecular formula is C7H3BrF4O.

What is the molecular weight of 1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene?

The molecular weight is 259.00 g/mol.

What is the IUPAC name of 1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene?

The IUPAC name is 1-bromo-2-fluoro-4-(trifluoromethoxy)benzene.

What is the InChIKey of 1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene?

The InChIKey is KZMHSGBETSENAT-UHFFFAOYSA-N.

How many hydrogen bond acceptors does 1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene have?

It has 5 hydrogen bond acceptors.

What is the XLogP3-AA value of 1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene?

The XLogP3-AA value is 3.9.

What is the formal charge of 1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene?

The formal charge is 0.

How many rotatable bonds does 1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene have?

It has 1 rotatable bond.

What is the topological polar surface area of 1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene?

The topological polar surface area is 9.2Ų.

Is 1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene a canonicalized compound?

Yes, it is a canonicalized compound.