4-(9H-carbozol-9-yl)phenylboronic acid

• CAS: 419536-33-7
• Catalog Number: ACM419536337-1
• Category: Boronic Acids
• Molecular Weight: 287.1g/mol
• Molecular Formula: C18H14BNO2
• IUPAC Name: (4-carbazol-9-ylphenyl)boronic acid
• SMILES: B(C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC=CC=C42)(O)O
• InChI: InChI=1S/C18H14BNO2/c21-19(22)13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-12,21-22H
• InChI Key: JGAVTCVHDMOQTJ-UHFFFAOYSA-N
• Complexity: 361
• Covalently-Bonded Unit Count: 1
• Exact Mass: 287.111759g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 22
• Monoisotopic Mass: 287.111759g/mol
• Rotatable Bond Count: 2

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C18H14BNO2.

What is the molecular weight of the compound?

The molecular weight is 287.1 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is (4-carbazol-9-ylphenyl)boronic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C18H14BNO2/c21-19(22)13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-12,21-22H.

What is the InChIKey of the compound?

The InChIKey is JGAVTCVHDMOQTJ-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is B(C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC=CC=C42)(O)O.

What is the CAS number of the compound?

The CAS number is 419536-33-7.

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

The European Community (EC) Number is 808-009-9.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID is DTXSID50630816.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 57102-42-8

• 419536-33-7

Reference: [1] Organic and Biomolecular Chemistry, 2012, vol. 10, # 33, p. 6693 - 6704

Upstream Synthesis Route 2

• 121-43-7
• 57102-42-8

• 419536-33-7

Reference: [1] Chemical Communications, 2013, vol. 49, # 34, p. 3597 - 3599

Downstream Synthesis Route 1

• 419536-33-7
• 76-09-5

• 785051-54-9

Reference: [1] Journal of Materials Chemistry C, 2018, vol. 6, # 32, p. 8733 - 8737

Downstream Synthesis Route 2

• 419536-33-7
• 54446-36-5

• 331980-55-3

Reference: [1]Patent: WO2007/125934,2007,A1 .Location in patent: Page/Page column 198-199

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