3-Chloro-4-ethoxyphenylboronic acid

CAS
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CAS
279261-81-3
Size
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Purity
98%
Price
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Availability
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Catalog Number

ACM279261813

Product Name

3-Chloro-4-ethoxyphenylboronic acid

Structure

Structure

CAS

279261-81-3

Category

Boronic Acids

IUPAC Name

(3-chloro-4-ethoxyphenyl)boronic acid

Molecular Weight

200.43g/mol

Molecular Formula

C8H10BClO3

Canonical SMILES

B(C1=CC(=C(C=C1)OCC)Cl)(O)O

InChI

InChI=1S/C8H10BClO3/c1-2-13-8-4-3-6(9(11)12)5-7(8)10/h3-5,11-12H,2H2,1H3

InChI Key

QZMQZKMQXURQNC-UHFFFAOYSA-N

Complexity

156

Covalently-Bonded Unit Count

1

Exact Mass

200.041152g/mol

Formal Charge

0

H-Bond Acceptor

3

H-Bond Donor

2

Heavy Atom Count

13

Monoisotopic Mass

200.041152g/mol

Rotatable Bond Count

3

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 3-Chloro-4-ethoxyphenylboronic acid?

The molecular formula is C8H10BClO3.

What is the molecular weight of 3-Chloro-4-ethoxyphenylboronic acid?

The molecular weight is 200.43 g/mol.

What is the IUPAC name of 3-Chloro-4-ethoxyphenylboronic acid?

The IUPAC name is (3-chloro-4-ethoxyphenyl)boronic acid.

What is the InChI of 3-Chloro-4-ethoxyphenylboronic acid?

The InChI is InChI=1S/C8H10BClO3/c1-2-13-8-4-3-6(9(11)12)5-7(8)10/h3-5,11-12H,2H2,1H3.

What is the InChIKey of 3-Chloro-4-ethoxyphenylboronic acid?

The InChIKey is QZMQZKMQXURQNC-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Chloro-4-ethoxyphenylboronic acid?

The canonical SMILES is B(C1=CC(=C(C=C1)OCC)Cl)(O)O.

What is the CAS number of 3-Chloro-4-ethoxyphenylboronic acid?

The CAS number is 279261-81-3.

What is the European Community (EC) number of 3-Chloro-4-ethoxyphenylboronic acid?

The European Community (EC) number is 695-694-0.

What is the DSSTox Substance ID of 3-Chloro-4-ethoxyphenylboronic acid?

The DSSTox Substance ID is DTXSID00395448.

Is 3-Chloro-4-ethoxyphenylboronic acid considered the canonicalized compound?

Yes, it is considered the canonicalized compound.

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