4,4,5,5-Tetramethyl-2-(7-trifluoromethyl-benzo[b] thiophen-2-yl)-[1,3,2]dioxaborolane

• CAS: 936901-97-2
• Catalog Number: ACM936901972
• Category: Other
• Molecular Weight: 328.16
• Molecular Formula: C9H6BF3O2S
• Synonyms: 936901-97-2, SureCN594048, CTK5H2808, AG-H-82796, KB-249384, 7-(trifluoromethyl)benzo[b]thien-2-yl boronic acid, 7-(TRIFLUOROMETHYL)BENZO[B]THIOPHEN-2-YL BORONIC ACID
• IUPAC Name: [7-(trifluoromethyl)-1-benzothiophen-2-yl]boronic acid
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(S2)C(=CC=C3)C(F)(F)F
• InChI Key: UMBJBSWXQQEIQK-UHFFFAOYSA-N
• Exact Mass: 246.01300
• H-Bond Acceptor: 6
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of 4,4,5,5-Tetramethyl-2-(7-trifluoromethyl-benzo[b]thiophen-2-yl)-[1,3,2]dioxaborolane?

The molecular formula is C15H16BF3O2S.

What is the molecular weight of 4,4,5,5-Tetramethyl-2-(7-trifluoromethyl-benzo[b]thiophen-2-yl)-[1,3,2]dioxaborolane?

The molecular weight is 328.2 g/mol.

What is the IUPAC name of 4,4,5,5-Tetramethyl-2-(7-trifluoromethyl-benzo[b]thiophen-2-yl)-[1,3,2]dioxaborolane?

The IUPAC name is 4,4,5-tetramethyl-2-[7-(trifluoromethyl)-1-benzothiophen-2-yl]-1,3,2-dioxaborolane.

What is the InChI of 4,4,5,5-Tetramethyl-2-(7-trifluoromethyl-benzo[b]thiophen-2-yl)-[1,3,2]dioxaborolane?

The InChI is InChI=1S/C15H16BF3O2S/c1-13(2)14(3,4)21-16(20-13)11-8-9-6-5-7-10(12(9)22-11)15(17,18)19/h5-8H,1-4H3.

What is the InChIKey of 4,4,5,5-Tetramethyl-2-(7-trifluoromethyl-benzo[b]thiophen-2-yl)-[1,3,2]dioxaborolane?

The InChIKey is PHUYJDSKUBHVDQ-UHFFFAOYSA-N.

What is the canonical SMILES representation of 4,4,5,5-Tetramethyl-2-(7-trifluoromethyl-benzo[b]thiophen-2-yl)-[1,3,2]dioxaborolane?

The canonical SMILES representation is B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(S2)C(=CC=C3)C(F)(F)F.

What is the CAS number of 4,4,5,5-Tetramethyl-2-(7-trifluoromethyl-benzo[b]thiophen-2-yl)-[1,3,2]dioxaborolane?

The CAS number is 1310384-44-1.

What is the hydrogen bond donor count of 4,4,5,5-Tetramethyl-2-(7-trifluoromethyl-benzo[b]thiophen-2-yl)-[1,3,2]dioxaborolane?

The hydrogen bond donor count is 0.

What is the hydrogen bond acceptor count of 4,4,5,5-Tetramethyl-2-(7-trifluoromethyl-benzo[b]thiophen-2-yl)-[1,3,2]dioxaborolane?

The hydrogen bond acceptor count is 6.

What is the rotatable bond count of 4,4,5,5-Tetramethyl-2-(7-trifluoromethyl-benzo[b]thiophen-2-yl)-[1,3,2]dioxaborolane?

The rotatable bond count is 1.