3-Bromo-4-methylbenzotrifluoride

• Catalog Number: ACMA00001618
• Category: Aryl
• Molecular Weight: 239.03
• Molecular Formula: C₈H₆BrClO
• Hazard Statements: H314
• RIDADR: UN 3261 8 / PGII
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 3-Bromo-4-methylbenzotrifluoride?

The molecular formula is C8H6BrF3.

What is the molecular weight of 3-Bromo-4-methylbenzotrifluoride?

The molecular weight is 239.03 g/mol.

What is the IUPAC name of 3-Bromo-4-methylbenzotrifluoride?

The IUPAC name is 2-bromo-1-methyl-4-(trifluoromethyl)benzene.

What is the InChI code of 3-Bromo-4-methylbenzotrifluoride?

The InChI code is InChI=1S/C8H6BrF3/c1-5-2-3-6(4-7(5)9)8(10,11)12/h2-4H,1H3.

What is the InChIKey of 3-Bromo-4-methylbenzotrifluoride?

The InChIKey is TWWUWLMGYSLODU-UHFFFAOYSA-N.

What is the Canonical SMILES of 3-Bromo-4-methylbenzotrifluoride?

The Canonical SMILES is CC1=C(C=C(C=C1)C(F)(F)F)Br.

What is the CAS number of 3-Bromo-4-methylbenzotrifluoride?

The CAS number is 66417-30-9.

What is the XLogP3-AA value of 3-Bromo-4-methylbenzotrifluoride?

The XLogP3-AA value is 3.9.

Is 3-Bromo-4-methylbenzotrifluoride considered as a canonicalized compound?

Yes, it is considered as a canonicalized compound.