4-(Allylaminocarbonyl)benzeneboronic acid

CAS

850568-20-6

Catalog Number

ACM850568206

Category

Boro-Amino Acids

Molecular Weight

205.02

Molecular Formula

C₁₀H₁₂BNO₃

MSDS COA Spec Sheet

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Specification

Synonyms

4-Allylaminocarbonylphenylboronic acid, 850568-20-6, 4-(Allylaminocarbonyl)benzeneboronic acid, AC1MZ0YI, [4-(prop-2-enylcarbamoyl)phenyl]boronic Acid, ACMC-209q1j, CTK5F3950, N-ALLYL 4-BORONOBENZAMIDE, MolPort-001-767-584, ANW-38021, OR3958, 4-ALLYLAMIDOBENZENE BORIC ACID, AKOS015839112, (4-(Allylcarbamoyl)phenyl)boronic acid, AB20368, AG-H-41256, 4-ALLYLCARBAMOYLBENZENEBORONIC ACID, AK141629, KB-36192, 4-(ALLYLCARBAMOYL)PHENYLBORONIC ACID

IUPAC Name

[4-(prop-2-enylcarbamoyl)phenyl]boronic acid

Canonical SMILES

B(C1=CC=C(C=C1)C(=O)NCC=C)(O)O

InChI Key

WZVRLQMDCATRNQ-UHFFFAOYSA-N

Melting Point

196-200ºC

Density

1.24g/cm³

Exact Mass

205.09100

Hazard Statements

Xi: Irritant;

H-Bond Acceptor

H-Bond Donor

Safety Description

26-36/37/39

What is the molecular formula of 4-(Allylaminocarbonyl)benzeneboronic acid?

The molecular formula of 4-(Allylaminocarbonyl)benzeneboronic acid is C10H12BNO3.

What is the molecular weight of 4-(Allylaminocarbonyl)benzeneboronic acid?

The molecular weight of 4-(Allylaminocarbonyl)benzeneboronic acid is 205.02 g/mol.

What is the IUPAC name of 4-(Allylaminocarbonyl)benzeneboronic acid?

The IUPAC name of 4-(Allylaminocarbonyl)benzeneboronic acid is [4-(prop-2-enylcarbamoyl)phenyl]boronic acid.

What is the InChI of 4-(Allylaminocarbonyl)benzeneboronic acid?

The InChI of 4-(Allylaminocarbonyl)benzeneboronic acid is InChI=1S/C10H12BNO3/c1-2-7-12-10(13)8-3-5-9(6-4-8)11(14)15/h2-6,14-15H,1,7H2,(H,12,13).

What is the InChIKey of 4-(Allylaminocarbonyl)benzeneboronic acid?

The InChIKey of 4-(Allylaminocarbonyl)benzeneboronic acid is WZVRLQMDCATRNQ-UHFFFAOYSA-N.

What is the canonical SMILES of 4-(Allylaminocarbonyl)benzeneboronic acid?

The canonical SMILES of 4-(Allylaminocarbonyl)benzeneboronic acid is B(C1=CC=C(C=C1)C(=O)NCC=C)(O)O.

What is the CAS number of 4-(Allylaminocarbonyl)benzeneboronic acid?

The CAS number of 4-(Allylaminocarbonyl)benzeneboronic acid is 850568-20-6.

How many hydrogen bond donor counts does 4-(Allylaminocarbonyl)benzeneboronic acid have?

4-(Allylaminocarbonyl)benzeneboronic acid has 3 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 4-(Allylaminocarbonyl)benzeneboronic acid have?

4-(Allylaminocarbonyl)benzeneboronic acid has 3 hydrogen bond acceptor counts.

How many rotatable bond counts does 4-(Allylaminocarbonyl)benzeneboronic acid have?

4-(Allylaminocarbonyl)benzeneboronic acid has 4 rotatable bond counts.