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Structure

Boronicacid,b-[4-(1H-pyrrol-1-ylsulfonyl)phenyl]-

CAS
913835-90-2
Catalog Number
ACM913835902
Category
Other Products
Molecular Weight
251.0667
Molecular Formula
C10H10BNO4S

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Specification

Synonyms
913835-90-2, 4-(1H-Pyrrol-1-ylsulphonyl)benzeneboronic acid, (4-((1H-Pyrrol-1-yl)sulfonyl)phenyl)boronic acid, ACMC-20aivy, SureCN12419386, CTK3I6376, MolPort-001-768-305, ANW-75404, OR3432, AKOS015854181, 4-(pyrrole-1-sulfonyl)phenylboronic acid, AK-96271, KB-33526, 4-(1H-Pyrrol-1-ylsulfonyl)phenylboronic acid,, B-4775, I04-1697, Boronicacid, B-[4-(1H-pyrrol-1-ylsulfonyl)phenyl]-
IUPAC Name
(4-pyrrol-1-ylsulfonylphenyl)boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2)(O)O
InChI Key
ONVBIHCHPHSAMF-UHFFFAOYSA-N
Boiling Point
494.9ºC at 760 mmHg
Melting Point
220-222ºC
Flash Point
253.1ºC
Density
1.34g/cm³
Exact Mass
251.04200
Hazard Statements
Xi
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of Boronicacid, b-[4-(1H-pyrrol-1-ylsulfonyl)phenyl]?

The molecular formula is C10H10BNO4S.

When was Boronicacid, b-[4-(1H-pyrrol-1-ylsulfonyl)phenyl] created according to PubChem?

It was created on July 21, 2009.

What is the IUPAC name of Boronicacid, b-[4-(1H-pyrrol-1-ylsulfonyl)phenyl]?

The IUPAC name is (4-pyrrol-1-ylsulfonylphenyl)boronic acid.

What is the InChIKey of Boronicacid, b-[4-(1H-pyrrol-1-ylsulfonyl)phenyl]?

The InChIKey is ONVBIHCHPHSAMF-UHFFFAOYSA-N.

How many hydrogen bond donor counts does Boronicacid have?

It has 2 hydrogen bond donor counts.

What is the exact mass of Boronicacid?

The exact mass is 251.0423591 g/mol.

How many hydrogen bond acceptor counts does Boronicacid have?

It has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of Boronicacid?

The topological polar surface area is 87.9 Ų.

How many rotatable bond counts does Boronicacid have?

It has 3 rotatable bond counts.

Is Boronicacid a canonicalized compound according to PubChem?

Yes, it is a canonicalized compound.

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