2-Bromo-4-(trifluoromethyl)phenylacetonitrile

• CAS: 474024-36-7
• Catalog Number: ACM474024367
• Category: Bromine Series
• Molecular Weight: 264.04
• Molecular Formula: C9H5NBrF3

Custom Q&A

What is the molecular formula of 2-Bromo-4-(trifluoromethyl)phenylacetonitrile?

The molecular formula is C9H5BrF3N.

What is the molecular weight of 2-Bromo-4-(trifluoromethyl)phenylacetonitrile?

The molecular weight is 264.04 g/mol.

What is the IUPAC name of 2-Bromo-4-(trifluoromethyl)phenylacetonitrile?

The IUPAC name is 2-[2-bromo-4-(trifluoromethyl)phenyl]acetonitrile.

What is the InChI of 2-Bromo-4-(trifluoromethyl)phenylacetonitrile?

The InChI is InChI=1S/C9H5BrF3N/c10-8-5-7(9(11,12)13)2-1-6(8)3-4-14/h1-2,5H,3H2.

What is the InChIKey of 2-Bromo-4-(trifluoromethyl)phenylacetonitrile?

The InChIKey is RYUZTTSDBHOIAF-UHFFFAOYSA-N.

What is the Canonical SMILES of 2-Bromo-4-(trifluoromethyl)phenylacetonitrile?

The Canonical SMILES is C1=CC(=C(C=C1C(F)(F)F)Br)CC#N.

How many hydrogen bond donor counts does 2-Bromo-4-(trifluoromethyl)phenylacetonitrile have?

It has 0 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 2-Bromo-4-(trifluoromethyl)phenylacetonitrile have?

It has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of 2-Bromo-4-(trifluoromethyl)phenylacetonitrile?

The topological polar surface area is 23.8 Ų.

Is 2-Bromo-4-(trifluoromethyl)phenylacetonitrile considered a canonicalized compound?

Yes, 2-Bromo-4-(trifluoromethyl)phenylacetonitrile is considered a canonicalized compound.