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Structure

4-Isopropoxyphenylboronic acid

CAS
153624-46-5
Catalog Number
ACM153624465
Category
Boronic Acids
Molecular Weight
180.01
Molecular Formula
C9H13BO3

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Specification

Synonyms
4-ISOPROPOXYPHENYLBORONIC ACID;4-ISOPROPOXYBENZENEBORONIC ACID;4-ISOPROPOXYLPHENYLBORONIC ACID;AKOS BRN-0675;CHEMBRDG-BB 4009733;P-ISOPROPOXYPHENYLBORONIC ACID;4-Isopropoxyphebylboronic acid;4-Isopropoxyphenylboronic
IUPAC Name
(4-propan-2-yloxyphenyl)boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)OC(C)C)(O)O
InChI Key
CJUHQADBFQRIMC-UHFFFAOYSA-N
Boiling Point
321.9ºC at 760 mmHg
Melting Point
150-154ºC
Flash Point
148.5ºC
Density
1.1 g/cm³
Appearance
Off- White to Light Tan Powder
Exact Mass
180.09600
Hazard Statements
Xi:Irritant;
H-Bond Acceptor
3
H-Bond Donor
2
Safety Description
S26
WGK Germany
3
What is the PubChem CID of 4-Isopropoxyphenylboronic acid?

PubChem CID 3698726.

What is the molecular formula of 4-Isopropoxyphenylboronic acid?

The molecular formula is C9H13BO3.

What is the molecular weight of 4-Isopropoxyphenylboronic acid?

The molecular weight is 180.01 g/mol.

What is the IUPAC name of 4-Isopropoxyphenylboronic acid?

The IUPAC name is "(4-propan-2-yloxyphenyl)boronic acid".

What is the InChI of 4-Isopropoxyphenylboronic acid?

The InChI is "InChI=1S/C9H13BO3/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7,11-12H,1-2H3".

What is the InChIKey of 4-Isopropoxyphenylboronic acid?

The InChIKey is "CJUHQADBFQRIMC-UHFFFAOYSA-N".

What is the canonical SMILES of 4-Isopropoxyphenylboronic acid?

The canonical SMILES is "B(C1=CC=C(C=C1)OC(C)C)(O)O".

What is the CAS number of 4-Isopropoxyphenylboronic acid?

The CAS number is 153624-46-5.

How many hydrogen bond donor counts does 4-Isopropoxyphenylboronic acid have?

It has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 4-Isopropoxyphenylboronic acid have?

It has 3 hydrogen bond acceptor counts.

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