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Structure

4-Butoxyphenylboronic acid

CAS
105365-51-3
Catalog Number
ACM105365513
Category
Boronic Acids
Molecular Weight
194.04g/mol
Molecular Formula
C10H15BO3

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Specification

Synonyms
P-BUTOXYPHENYLBORONIC ACID;4-BUTOXYPHENYLBORONIC ACID;(4-N-BUTOXYPHENYL)BORONIC ACID;AKOS BRN-0163;4-BUTOXYCARBONYLBORONIC ACID;4-BUTOXYMETHYLBORONICACID;4-Butyloxyphenylboronic acid
IUPAC Name
(4-butoxyphenyl)boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)OCCCC)(O)O
InChI
InChI=1S/C10H15BO3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7,12-13H,2-3,8H2,1H3
InChI Key
QUPFQMXWFNJUNJ-UHFFFAOYSA-N
Complexity
144
Covalently-Bonded Unit Count
1
Exact Mass
194.111424g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
2
Heavy Atom Count
14
Monoisotopic Mass
194.111424g/mol
Rotatable Bond Count
5
What is the molecular formula of 4-Butoxyphenylboronic acid?

The molecular formula of 4-Butoxyphenylboronic acid is C10H15BO3.

What is the molecular weight of 4-Butoxyphenylboronic acid?

The molecular weight of 4-Butoxyphenylboronic acid is 194.04 g/mol.

What is the IUPAC name of 4-Butoxyphenylboronic acid?

The IUPAC name of 4-Butoxyphenylboronic acid is (4-butoxyphenyl)boronic acid.

What is the InChI of 4-Butoxyphenylboronic acid?

The InChI of 4-Butoxyphenylboronic acid is InChI=1S/C10H15BO3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7,12-13H,2-3,8H2,1H3.

What is the InChIKey of 4-Butoxyphenylboronic acid?

The InChIKey of 4-Butoxyphenylboronic acid is QUPFQMXWFNJUNJ-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Butoxyphenylboronic acid?

The canonical SMILES of 4-Butoxyphenylboronic acid is B(C1=CC=C(C=C1)OCCCC)(O)O.

What is the CAS number of 4-Butoxyphenylboronic acid?

The CAS number of 4-Butoxyphenylboronic acid is 105365-51-3.

What is the EC number of 4-Butoxyphenylboronic acid?

The EC number of 4-Butoxyphenylboronic acid is 690-778-3.

What is the DSSTox Substance ID of 4-Butoxyphenylboronic acid?

The DSSTox Substance ID of 4-Butoxyphenylboronic acid is DTXSID00397104.

Is 4-Butoxyphenylboronic acid a canonicalized compound?

Yes, 4-Butoxyphenylboronic acid is a canonicalized compound.

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