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Structure

4-Butoxy-3-chlorophenylboronic acid

CAS
480438-55-9
Catalog Number
ACM480438559
Category
Other Products; Boronic Acids
Molecular Weight
228.48g/mol
Molecular Formula
C10H14BClO3

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Specification

IUPAC Name
(4-butoxy-3-chlorophenyl)boronic acid
Canonical SMILES
B(C1=CC(=C(C=C1)OCCCC)Cl)(O)O
InChI
InChI=1S/C10H14BClO3/c1-2-3-6-15-10-5-4-8(11(13)14)7-9(10)12/h4-5,7,13-14H,2-3,6H2,1H3
InChI Key
AOKJNAVCTPBFPJ-UHFFFAOYSA-N
Complexity
180
Covalently-Bonded Unit Count
1
Exact Mass
228.072452g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
2
Heavy Atom Count
15
Monoisotopic Mass
228.072452g/mol
Rotatable Bond Count
5
What is the molecular formula of 4-Butoxy-3-chlorophenylboronic acid?

The molecular formula is C10H14BClO3.

What is the molecular weight of 4-Butoxy-3-chlorophenylboronic acid?

The molecular weight is 228.48 g/mol.

When was 4-Butoxy-3-chlorophenylboronic acid created?

It was created on October 7, 2005.

When was 4-Butoxy-3-chlorophenylboronic acid last modified?

It was last modified on December 2, 2023.

What is the IUPAC name of 4-Butoxy-3-chlorophenylboronic acid?

The IUPAC name is (4-butoxy-3-chlorophenyl)boronic acid.

What is the InChI of 4-Butoxy-3-chlorophenylboronic acid?

The InChI is InChI=1S/C10H14BClO3/c1-2-3-6-15-10-5-4-8(11(13)14)7-9(10)12/h4-5,7,13-14H,2-3,6H2,1H3.

What is the InChIKey of 4-Butoxy-3-chlorophenylboronic acid?

The InChIKey is AOKJNAVCTPBFPJ-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Butoxy-3-chlorophenylboronic acid?

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

What is the CAS number of 4-Butoxy-3-chlorophenylboronic acid?

The CAS number is 480438-55-9.

What is the hydrogen bond donor count of 4-Butoxy-3-chlorophenylboronic acid?

The hydrogen bond donor count is 2.

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