3-(1-Bromoethyl)benzotrifluoride

• Catalog Number: ACMA00000656
• Category: Alkyl
• Molecular Weight: 253.06
• Molecular Formula: C₈H₈BrF
• Hazard Statements: H315
• RIDADR: UN 3082 9 / PGIII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 3-(1-Bromoethyl)benzotrifluoride?

The molecular formula is C9H8BrF3.

What is the molecular weight of 3-(1-Bromoethyl)benzotrifluoride?

The molecular weight is 253.06 g/mol.

What is the IUPAC name of 3-(1-Bromoethyl)benzotrifluoride?

The IUPAC name is 1-(1-bromoethyl)-3-(trifluoromethyl)benzene.

What is the InChI of 3-(1-Bromoethyl)benzotrifluoride?

The InChI is InChI=1S/C9H8BrF3/c1-6(10)7-3-2-4-8(5-7)9(11,12)13/h2-6H,1H3.

What is the InChIKey of 3-(1-Bromoethyl)benzotrifluoride?

The InChIKey is AJBWDFPJLDDEPQ-UHFFFAOYSA-N.

What is the Canonical SMILES of 3-(1-Bromoethyl)benzotrifluoride?

The Canonical SMILES is CC(C1=CC(=CC=C1)C(F)(F)F)Br.

What is the CAS number of 3-(1-Bromoethyl)benzotrifluoride?

The CAS number is 59770-96-6.

What is the XLogP3-AA value of 3-(1-Bromoethyl)benzotrifluoride?

The XLogP3-AA value is 3.8.

How many hydrogen bond donor counts are there in 3-(1-Bromoethyl)benzotrifluoride?

There are 0 hydrogen bond donor counts.

How many rotatable bond counts are there in 3-(1-Bromoethyl)benzotrifluoride?

There is 1 rotatable bond count.