Boronicacid,b-[3-[[(3-bromophenyl)sulfonyl]amino]phenyl]-

CAS
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Purity
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CAS
913835-31-1
Size
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Purity
95%
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Catalog Number

ACM913835311

Product Name

Boronicacid,b-[3-[[(3-bromophenyl)sulfonyl]amino]phenyl]-

Structure

Structure

CAS

913835-31-1

Category

Heterocyclic Organic Compound

Synonyms

913835-31-1, 3-(3-Bromophenylsulfonamido)phenylboronic acid, 3-(3-Bromophenylsulphonamido)benzeneboronic acid, (3-(3-Bromophenylsulfonamido)phenyl)boronic acid, ACMC-209r92, CTK3I6378, MolPort-001-768-271, ANW-39588, OR3335, AKOS015834606, AG-H-74902, AK-91128, KB-26781, 3-(3-bromobenzenesulfonamido)phenylboronic acid, 3-(3-Bromophenylsulfonamido)phenylboronic acid,, B-5620, I04-1814, Boronicacid, B-[3-[[(3-bromophenyl)sulfonyl]amino]phenyl]-

IUPAC Name

[3-[(3-bromophenyl)sulfonylamino]phenyl]boronic acid

Molecular Weight

356.0029

Molecular Formula

C₁₂H₁₁BBrNO₄S

Canonical SMILES

B(C1=CC(=CC=C1)NS(=O)(=O)C2=CC(=CC=C2)Br)(O)O

InChI Key

AJQSIDSDMAZIHA-UHFFFAOYSA-N

H-Bond Acceptor

5

H-Bond Donor

3

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Boronicacid, b-[3-[[(3-bromophenyl)sulfonyl]amino]phenyl]?

The molecular formula is C12H11BBrNO4S.

When was Boronicacid, b-[3-[[(3-bromophenyl)sulfonyl]amino]phenyl] created and modified in PubChem?

It was created on 2009-07-21 and modified on 2023-12-30.

What is the IUPAC Name of Boronicacid, b-[3-[[(3-bromophenyl)sulfonyl]amino]phenyl]?

The IUPAC Name is [3-[(3-bromophenyl)sulfonylamino]phenyl]boronic acid.

What is the Canonical SMILES representation of Boronicacid, b-[3-[[(3-bromophenyl)sulfonyl]amino]phenyl]?

The Canonical SMILES representation is B(C1=CC(=CC=C1)NS(=O)(=O)C2=CC(=CC=C2)Br)(O)O.

How many hydrogen bond donor counts are in Boronicacid, b-[3-[[(3-bromophenyl)sulfonyl]amino]phenyl]?

There are 3 hydrogen bond donor counts.

What is the exact mass of Boronicacid, b-[3-[[(3-bromophenyl)sulfonyl]amino]phenyl]?

The exact mass is 354.96852 g/mol.

How many rotatable bond counts are in Boronicacid, b-[3-[[(3-bromophenyl)sulfonyl]amino]phenyl]?

There are 4 rotatable bond counts.

What is the topological polar surface area of Boronicacid, b-[3-[[(3-bromophenyl)sulfonyl]amino]phenyl]?

The topological polar surface area is 95 Å².

How many heavy atoms are there in Boronicacid, b-[3-[[(3-bromophenyl)sulfonyl]amino]phenyl]?

There are 20 heavy atoms.

Is Boronicacid, b-[3-[[(3-bromophenyl)sulfonyl]amino]phenyl] a canonicalized compound in PubChem?

Yes, the compound is canonicalized in PubChem.

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