2-Bromomethylphenylboronic acid

• CAS: 91983-14-1
• Catalog Number: ACM91983141
• Category: Other Products
• Molecular Weight: 214.85g/mol
• Molecular Formula: C7H8BBrO2
• Synonyms: RARECHEM AH PB 0060;2-(BROMOMETHYL)BENZENEBORONIC ACID;2-BROMOMETHYLPHENYLBORONIC ACID;2-Boronobenzyl bromide;2-Bromomethylphenylboronic;2-(Bromomethyl)benzeneboronic acid 95%;2-(BroMoMethyl)phenylboronic Acid (contains varying aMounts of Anhydride);2-Bro
• IUPAC Name: [2-(bromomethyl)phenyl]boronic acid
• Canonical SMILES: B(C1=CC=CC=C1CBr)(O)O
• InChI: InChI=1S/C7H8BBrO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,10-11H,5H2
• InChI Key: MYVJCOQGXCONPE-UHFFFAOYSA-N
• Complexity: 121
• Covalently-Bonded Unit Count: 1
• Exact Mass: 213.98007g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 11
• Monoisotopic Mass: 213.98007g/mol
• Rotatable Bond Count: 2

Custom Q&A

What is the molecular formula of 2-Bromomethylphenylboronic acid?

The molecular formula of 2-Bromomethylphenylboronic acid is C7H8BBrO2.

What is the IUPAC name of 2-Bromomethylphenylboronic acid?

The IUPAC name of 2-Bromomethylphenylboronic acid is [2-(bromomethyl)phenyl]boronic acid.

What is the molecular weight of 2-Bromomethylphenylboronic acid?

The molecular weight of 2-Bromomethylphenylboronic acid is 214.85 g/mol.

What is the Canonical SMILES representation of 2-Bromomethylphenylboronic acid?

The Canonical SMILES representation of 2-Bromomethylphenylboronic acid is B(C1=CC=CC=C1CBr)(O)O.

How many hydrogen bond donor counts are there in 2-Bromomethylphenylboronic acid?

There are 2 hydrogen bond donor counts in 2-Bromomethylphenylboronic acid.

What is the topological polar surface area of 2-Bromomethylphenylboronic acid?

The topological polar surface area of 2-Bromomethylphenylboronic acid is 40.5 Å2.

How many rotatable bond counts are there in 2-Bromomethylphenylboronic acid?

There are 2 rotatable bond counts in 2-Bromomethylphenylboronic acid.

Is the compound canonicalized in 2-Bromomethylphenylboronic acid?

Yes, the compound is canonicalized in 2-Bromomethylphenylboronic acid.

What is the InChIKey of 2-Bromomethylphenylboronic acid?

The InChIKey of 2-Bromomethylphenylboronic acid is MYVJCOQGXCONPE-UHFFFAOYSA-N.

When was 2-Bromomethylphenylboronic acid created and last modified?

2-Bromomethylphenylboronic acid was created on 2005-07-19 and last modified on 2023-12-30.

Synthetic Use

Upstream Synthesis Route 1

• 16419-60-6

• 91983-14-1

Reference: [1] Patent: CN103497211, 2016, B, . Location in patent: Paragraph 0242; 0243

Upstream Synthesis Route 2

• 128-08-5
• 16419-60-6

• 91983-14-1

Reference: [1] Russian Chemical Bulletin, 2005, vol. 54, # 11, p. 2602 - 2611
[2] Russian Chemical Bulletin, 2004, vol. 53, # 2, p. 370 - 375

Upstream Synthesis Route 3

• 95-46-5

• 91983-14-1

Reference: [1] Tetrahedron Letters, 2001, vol. 42, # 34, p. 5875 - 5877

Upstream Synthesis Route 4

• 16419-60-6

• 91983-14-1

Reference: [1]Patent: CN103497211,2016,B .Location in patent: Paragraph 0242; 0243

Downstream Synthesis Route 1

• 91983-14-1

• 5735-41-1

Reference: [1]Arkiv foer Kemi,1956,vol. 10,p. 507,509

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