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Home Boronic acids 4-Benzoylphenylboronic acid

4-Benzoylphenylboronic acid

CAS No.:
268218-94-6
Catalog Number:
AG00BDR0
Molecular Formula:
C13H11BO3
Molecular Weight:
226.0356
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$32
- +
5g
98%
In Stock USA
United States
$107
- +
25g
98%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG00BDR0
Chemical Name:
4-Benzoylphenylboronic acid
CAS Number:
268218-94-6
Molecular Formula:
C13H11BO3
Molecular Weight:
226.0356
MDL Number:
MFCD05664212
IUPAC Name:
(4-benzoylphenyl)boronic acid
InChI:
InChI=1S/C13H11BO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9,16-17H
InChI Key:
CWMIVCCXDVRXST-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)c1ccccc1)O
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.08g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
226.038g/mol
Monoisotopic Mass:
226.08g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Synthesis of functionalized cinnamaldehyde derivatives by an oxidative Heck reaction and their use as starting materials for preparation of Mycobacterium tuberculosis 1-deoxy-D-xylulose-5-phosphate reductoisomerase inhibitors. The Journal of organic chemistry 20111104
Properties