(2-(1H-Tetrazol-5-yl)phenyl)boronic acid

• CAS: 155884-01-8
• Catalog Number: ACM155884018
• Category: Main Products
• Molecular Weight: 189.97g/mol
• Molecular Formula: C7H7BN4O2
• Synonyms: 2-(5-Tetrazolyl)phenylboronic acid
• IUPAC Name: [2-(2H-tetrazol-5-yl)phenyl]boronic acid
• SMILES: B(C1=CC=CC=C1C2=NNN=N2)(O)O
• InChI: InChI=1S/C7H7BN4O2/c13-8(14)6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4,13-14H,(H,9,10,11,12)
• InChI Key: GVRXWYFECKHTSJ-UHFFFAOYSA-N
• Melting Point: 148-152 °C
• Appearance: White to Tan powder
• Complexity: 195
• Covalently-Bonded Unit Count: 1
• Exact Mass: 190.066206g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 3
• Heavy Atom Count: 14
• Monoisotopic Mass: 190.066206g/mol
• Rotatable Bond Count: 2

Custom Q&A

What is the molecular formula of (2-(1H-Tetrazol-5-yl)phenyl)boronic acid?

The molecular formula is C7H7BN4O2.

What is the molecular weight of (2-(1H-Tetrazol-5-yl)phenyl)boronic acid?

The molecular weight is 189.97 g/mol.

What is the IUPAC name of (2-(1H-Tetrazol-5-yl)phenyl)boronic acid?

The IUPAC name is [2-(2H-tetrazol-5-yl)phenyl]boronic acid.

What is the InChI of (2-(1H-Tetrazol-5-yl)phenyl)boronic acid?

The InChI is InChI=1S/C7H7BN4O2/c13-8(14)6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4,13-14H,(H,9,10,11,12).

What is the InChIKey of (2-(1H-Tetrazol-5-yl)phenyl)boronic acid?

The InChIKey is GVRXWYFECKHTSJ-UHFFFAOYSA-N.

What is the Canonical SMILES of (2-(1H-Tetrazol-5-yl)phenyl)boronic acid?

The Canonical SMILES is B(C1=CC=CC=C1C2=NNN=N2)(O)O.

What is the CAS number of (2-(1H-Tetrazol-5-yl)phenyl)boronic acid?

The CAS number is 155884-01-8.

What is the European Community (EC) number of (2-(1H-Tetrazol-5-yl)phenyl)boronic acid?

The European Community (EC) number is 686-953-9.

What is the hydrogen bond donor count of (2-(1H-Tetrazol-5-yl)phenyl)boronic acid?

The hydrogen bond donor count is 3.

What is the hydrogen bond acceptor count of (2-(1H-Tetrazol-5-yl)phenyl)boronic acid?

The hydrogen bond acceptor count is 5.

Synthetic Use

Downstream Synthesis Route 1

• 155884-01-8
• 867022-57-9

• 137862-53-4

Reference: [1]Current Patent Assignee: PERMIRA HOLDINGS LIMITED - WO2005/102987, 2005, A1
Location in patent: Page/Page column 28-29
[2]Current Patent Assignee: PERMIRA HOLDINGS LIMITED - WO2005/102987, 2005, A1
Location in patent: Page/Page column 25-26
[3]Current Patent Assignee: PERMIRA HOLDINGS LIMITED - WO2005/102987, 2005, A1
Location in patent: Page/Page column 28
[4]Current Patent Assignee: PERMIRA HOLDINGS LIMITED - WO2005/102987, 2005, A1
Location in patent: Page/Page column 27

Downstream Synthesis Route 2

• 155884-01-8
• 867022-58-0

• 137862-53-4

Reference: [1]Current Patent Assignee: PERMIRA HOLDINGS LIMITED - WO2005/102987, 2005, A1
Location in patent: Page/Page column 26; 29
[2]Current Patent Assignee: PERMIRA HOLDINGS LIMITED - WO2005/102987, 2005, A1
Location in patent: Page/Page column 27
[3]Current Patent Assignee: PERMIRA HOLDINGS LIMITED - WO2005/102987, 2005, A1
Location in patent: Page/Page column 28

Downstream Synthesis Route 3

• 854538-88-8
• 155884-01-8

• 139481-58-6

Reference: [1]Patent: WO2006/134078,2006,A1 .Location in patent: Page/Page column 16

* For details of the synthesis route, please refer to the original source to ensure accuracy.