5-Bromo-2-chlorobenzotrifluoride

• CAS: 445-01-2
• Catalog Number: ACM445012
• Category: Bromine Series
• Molecular Weight: 259.45
• Molecular Formula: C₉H₁₂O
• Hazard Statements: H319
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 5-Bromo-2-chlorobenzotrifluoride?

The molecular formula of 5-Bromo-2-chlorobenzotrifluoride is C7H3BrClF3.

When was the structure of 5-Bromo-2-chlorobenzotrifluoride created?

The structure of 5-Bromo-2-chlorobenzotrifluoride was created on March 27, 2005.

How is the InChIKey of 5-Bromo-2-chlorobenzotrifluoride computed?

The InChIKey of 5-Bromo-2-chlorobenzotrifluoride is computed by InChI 1.0.6.

What is the Canonical SMILES representation of 5-Bromo-2-chlorobenzotrifluoride?

The Canonical SMILES representation of 5-Bromo-2-chlorobenzotrifluoride is C1=CC(=C(C=C1Br)C(F)(F)F)Cl.

What is the molecular weight of 5-Bromo-2-chlorobenzotrifluoride?

The molecular weight of 5-Bromo-2-chlorobenzotrifluoride is 259.45 g/mol.

What is the UNII (Unique Ingredient Identifier) of 5-Bromo-2-chlorobenzotrifluoride?

The UNII of 5-Bromo-2-chlorobenzotrifluoride is RK6Y7PY8S9.

How many hydrogen bond acceptor counts does 5-Bromo-2-chlorobenzotrifluoride have?

5-Bromo-2-chlorobenzotrifluoride has 3 hydrogen bond acceptor counts.

What is the XLogP3 value of 5-Bromo-2-chlorobenzotrifluoride?

The XLogP3 value of 5-Bromo-2-chlorobenzotrifluoride is 4.8.

How many rotatable bond counts does 5-Bromo-2-chlorobenzotrifluoride have?

5-Bromo-2-chlorobenzotrifluoride has 0 rotatable bond counts.

Is 5-Bromo-2-chlorobenzotrifluoride a canonicalized compound?

Yes, 5-Bromo-2-chlorobenzotrifluoride is a canonicalized compound.