2-(Trifluoromethoxy)phenylboronic acid

• Catalog Number: ACM175676650
• Product Name: 2-(Trifluoromethoxy)phenylboronic acid
• CAS: 175676-65-0
• Category: Boronic Acids
• Synonyms: AKOS BRN-0449;2-(TRIFLUOROMETHOXY)BENZENEBORONIC ACID;2-(TRIFLUORMETHOXY)PHENYLBORONIC ACID;2-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID;RARECHEM AH PB 0077;O-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID;2-(Trifluoromethoxy)Phenylboro;2-(Trifluoromethoxy)phenylboronic
• IUPAC Name: [2-(trifluoromethoxy)phenyl]boronic acid
• Molecular Weight: 205.93g/mol
• Molecular Formula: C7H6BF3O3
• Canonical SMILES: B(C1=CC=CC=C1OC(F)(F)F)(O)O
• InChI: InChI=1S/C7H6BF3O3/c9-7(10,11)14-6-4-2-1-3-5(6)8(12)13/h1-4,12-13H
• InChI Key: AIJCNTOYZPKURP-UHFFFAOYSA-N
• Complexity: 186
• Covalently-Bonded Unit Count: 1
• Exact Mass: 206.036209g/mol
• Formal Charge: 0
• H-Bond Acceptor: 6
• H-Bond Donor: 2
• Heavy Atom Count: 14
• Monoisotopic Mass: 206.036209g/mol
• Rotatable Bond Count: 2

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C7H6BF3O3.

What is the molecular weight of the compound?

The molecular weight of the compound is 205.93 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is [2-(trifluoromethoxy)phenyl]boronic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C7H6BF3O3/c9-7(10,11)14-6-4-2-1-3-5(6)8(12)13/h1-4,12-13H.

What is the InChIKey of the compound?

The InChIKey of the compound is AIJCNTOYZPKURP-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is B(C1=CC=CC=C1OC(F)(F)F)(O)O.

What is the CAS number of the compound?

The CAS number of the compound is 175676-65-0.

What is the European Community (EC) number of the compound?

The European Community (EC) number of the compound is 642-456-9.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID of the compound is DTXSID60380411.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 49.7Ų.