Structure

3,4,5-Trifluorophenylboronic acid

CAS
143418-49-9
Catalog Number
ACM143418499
Category
Boronic Acids
Molecular Weight
175.9g/mol
Molecular Formula
C6H4BF3O2

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Specification

Synonyms
AKOS BRN-0138;3,4,5-TRIFLUOROPHENYLBORONIC ACID;3,4,5-TRIFLUOROBENZENEBORONIC ACID;3,4,5-Trifluophenylboronic acid
;3,4,5-Trifluorobenzeneboronic acid 97%;3,4,5-Trifluorobenzeneboronicacid97%;3,4,5-TRIFLUOROPHENYLBORONIC ACID MIN 96% HPLC;3,4,5-TRIFLUOROP
IUPAC Name
(3,4,5-trifluorophenyl)boronic acid
SMILES
B(C1=CC(=C(C(=C1)F)F)F)(O)O
InChI
InChI=1S/C6H4BF3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,11-12H
InChI Key
UHDDEIOYXFXNNJ-UHFFFAOYSA-N
Complexity
146
Covalently-Bonded Unit Count
1
EC Number
604-355-8
Exact Mass
176.025644g/mol
Formal Charge
0
H-Bond Acceptor
5
H-Bond Donor
2
Heavy Atom Count
12
Monoisotopic Mass
176.025644g/mol
Rotatable Bond Count
1
What is the molecular formula of 3,4,5-Trifluorophenylboronic acid?

The molecular formula is C6H4BF3O2.

What are some synonyms for 3,4,5-Trifluorophenylboronic acid?

Some synonyms include 143418-49-9, (3,4,5-trifluorophenyl)boronic acid, 3,4,5-Trifluorobenzeneboronic acid, and 3,4,5-Trifluorophenyl boronic acid.

What is the molecular weight of 3,4,5-Trifluorophenylboronic acid?

The molecular weight is 175.90 g/mol.

What is the IUPAC name of 3,4,5-Trifluorophenylboronic acid?

The IUPAC name is (3,4,5-trifluorophenyl)boronic acid.

What is the InChI of 3,4,5-Trifluorophenylboronic acid?

The InChI is InChI=1S/C6H4BF3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,11-12H.

What is the InChIKey of 3,4,5-Trifluorophenylboronic acid?

The InChIKey is UHDDEIOYXFXNNJ-UHFFFAOYSA-N.

What is the canonical SMILES of 3,4,5-Trifluorophenylboronic acid?

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

What is the CAS number of 3,4,5-Trifluorophenylboronic acid?

The CAS number is 143418-49-9.

What is the European Community (EC) Number of 3,4,5-Trifluorophenylboronic acid?

The EC Number is 604-355-8.

What is the molecular weight, hydrogen bond donor count, and hydrogen bond acceptor count of 3,4,5-Trifluorophenylboronic acid?

The molecular weight is 175.90 g/mol, the hydrogen bond donor count is 2, and the hydrogen bond acceptor count is 5.

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