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Structure

2-Methyl-5-phenylthiophene-3-boronic acid

CAS
909103-23-7
Catalog Number
ACM909103237
Category
Other Products
Molecular Weight
218.06
Molecular Formula
C11H11BO2S

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Specification

Synonyms
2-methyl-5-phenylthiophene-3-boronic acid, 909103-23-7, KB-231600
IUPAC Name
(2-methyl-5-phenylthiophen-3-yl)boronic acid
Canonical SMILES
B(C1=C(SC(=C1)C2=CC=CC=C2)C)(O)O
InChI Key
VGHQIYVIUIHYBL-UHFFFAOYSA-N
Exact Mass
218.05700
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of 2-Methyl-5-phenylthiophene-3-boronic acid?

The molecular formula is C11H11BO2S.

When was the structure of 2-Methyl-5-phenylthiophene-3-boronic acid created?

The structure was created on October 30, 2011.

What is the molecular weight of 2-Methyl-5-phenylthiophene-3-boronic acid?

The molecular weight is 218.08 g/mol.

What is the IUPAC name of 2-Methyl-5-phenylthiophene-3-boronic acid?

The IUPAC name is (2-methyl-5-phenylthiophen-3-yl)boronic acid.

What is the InChIKey of 2-Methyl-5-phenylthiophene-3-boronic acid?

The InChIKey is VGHQIYVIUIHYBL-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 2-Methyl-5-phenylthiophene-3-boronic acid have?

It has 2 hydrogen bond donor counts.

What is the topological polar surface area of 2-Methyl-5-phenylthiophene-3-boronic acid?

The topological polar surface area is 68.7 Ų.

Does 2-Methyl-5-phenylthiophene-3-boronic acid have any defined atom stereocenter count?

No, it has 0 defined atom stereocenter count.

How many rotatable bond counts does 2-Methyl-5-phenylthiophene-3-boronic acid have?

It has 2 rotatable bond counts.

Is 2-Methyl-5-phenylthiophene-3-boronic acid considered as a canonicalized compound?

Yes, the compound is canonicalized.

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