3-tert-Butoxycarbonylphenylboronic acid

CAS

220210-56-0

Catalog Number

ACM220210560

Category

Boro-Amino Acids

Molecular Weight

222.05

Molecular Formula

C11H15BO4

MSDS COA Spec Sheet

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Specification

Synonyms

Benzoic acid, 3-borono-, 1-(1,1-diMethylethyl) ester

IUPAC Name

[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]boronic acid

Canonical SMILES

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

InChI

InChI=1S/C11H15BO4/c1-11(2,3)16-10(13)8-5-4-6-9(7-8)12(14)15/h4-7,14-15H,1-3H3

InChI Key

HVJDVHCPCSZDSR-UHFFFAOYSA-N

Boiling Point

375.0±44.0 °C

Melting Point

96-102 °C

Flash Point

180.6ºC

Density

1.15±0.1 g/ml

Appearance

white to light yellow crystal powder

Exact Mass

222.10600

Hazard Statements

Xi: Irritant;

H-Bond Acceptor

H-Bond Donor

Safety Description

26-36/37/39

What is the molecular formula of 3-Tert-butoxycarbonylphenylboronic acid?

The molecular formula of 3-Tert-butoxycarbonylphenylboronic acid is C11H15BO4.

What is the molecular weight of 3-Tert-butoxycarbonylphenylboronic acid?

The molecular weight of 3-Tert-butoxycarbonylphenylboronic acid is 222.05 g/mol.

What is the IUPAC name of 3-Tert-butoxycarbonylphenylboronic acid?

The IUPAC name of 3-Tert-butoxycarbonylphenylboronic acid is [3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]boronic acid.

What is the InChI of 3-Tert-butoxycarbonylphenylboronic acid?

The InChI of 3-Tert-butoxycarbonylphenylboronic acid is InChI=1S/C11H15BO4/c1-11(2,3)16-10(13)8-5-4-6-9(7-8)12(14)15/h4-7,14-15H,1-3H3.

What is the InChIKey of 3-Tert-butoxycarbonylphenylboronic acid?

The InChIKey of 3-Tert-butoxycarbonylphenylboronic acid is HVJDVHCPCSZDSR-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Tert-butoxycarbonylphenylboronic acid?

The canonical SMILES of 3-Tert-butoxycarbonylphenylboronic acid is B(C1=CC(=CC=C1)C(=O)OC(C)(C)C)(O)O.

What is the CAS number of 3-Tert-butoxycarbonylphenylboronic acid?

The CAS number of 3-Tert-butoxycarbonylphenylboronic acid is 220210-56-0.

What is the EC number of 3-Tert-butoxycarbonylphenylboronic acid?

The EC number of 3-Tert-butoxycarbonylphenylboronic acid is 691-957-9.

What is the hydrogen bond donor count of 3-Tert-butoxycarbonylphenylboronic acid?

The hydrogen bond donor count of 3-Tert-butoxycarbonylphenylboronic acid is 2.

Is 3-Tert-butoxycarbonylphenylboronic acid a canonicalized compound?

Yes, 3-Tert-butoxycarbonylphenylboronic acid is a canonicalized compound.