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Structure

3,5-Dichlorophenylboronic acid

CAS
67492-50-6
Catalog Number
ACM67492506
Category
Boronic Acids
Molecular Weight
190.82g/mol
Molecular Formula
C6H5BCl2O2

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Specification

Synonyms
AKOS BRN-0088;3,5-DICHLOROPHENYLBORONIC ACID;3,5-DICHLOROBENZENEBORONIC ACID;RARECHEM AH PB 0088;3,5-Dichlophenylboronic acid;3,5-Dichlorobenzeneboronicacid,98%;3,5-DICHLOROPHENYLBORONIC ACID 98%;3,5-Dichlorophenylboronic 97% +
IUPAC Name
(3,5-dichlorophenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC(=C1)Cl)Cl)(O)O
InChI
InChI=1S/C6H5BCl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H
InChI Key
DKYRKAIKWFHQHM-UHFFFAOYSA-N
Complexity
124
Covalently-Bonded Unit Count
1
Exact Mass
189.975965g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
2
Heavy Atom Count
11
Monoisotopic Mass
189.975965g/mol
Rotatable Bond Count
1
What is the molecular formula of 3,5-Dichlorophenylboronic acid?

The molecular formula of 3,5-Dichlorophenylboronic acid is C6H5BCl2O2.

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

The molecular weight of 3,5-Dichlorophenylboronic acid is 190.82 g/mol.

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

The IUPAC name of 3,5-Dichlorophenylboronic acid is (3,5-dichlorophenyl)boronic acid.

What is the InChI of 3,5-Dichlorophenylboronic acid?

The InChI of 3,5-Dichlorophenylboronic acid is InChI=1S/C6H5BCl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H.

What is the InChIKey of 3,5-Dichlorophenylboronic acid?

The InChIKey of 3,5-Dichlorophenylboronic acid is DKYRKAIKWFHQHM-UHFFFAOYSA-N.

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

The canonical SMILES of 3,5-Dichlorophenylboronic acid is B(C1=CC(=CC(=C1)Cl)Cl)(O)O.

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

The CAS number of 3,5-Dichlorophenylboronic acid is 67492-50-6.

What is the European Community (EC) number of 3,5-Dichlorophenylboronic acid?

The European Community (EC) number of 3,5-Dichlorophenylboronic acid is 628-675-2.

Is 3,5-Dichlorophenylboronic acid a canonicalized compound?

Yes, 3,5-Dichlorophenylboronic acid is a canonicalized compound.

Upstream Synthesis Route 1

  • 541-73-1
  • 67492-50-6

Reference: [1] Organic Letters, 2007, vol. 9, # 5, p. 757 - 760

Downstream Synthesis Route 1

  • 6011-14-9
  • 67492-50-6
  • 52516-37-7

Reference: [1] Angewandte Chemie - International Edition, 2014, vol. 53, # 39, p. 10510 - 10514[2] Angew. Chem., 2014, vol. 126, # 39, p. 10678 - 10682,5

Downstream Synthesis Route 2

  • 557-21-1
  • 67492-50-6
  • 6575-00-4

Reference: [1] Journal of the American Chemical Society, 2010, vol. 132, # 33, p. 11389 - 11391

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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