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Home > Boronic Acids > 381248-04-0
381248-04-0 | (2-Chloropyridin-3-yl)boronic acid
CAS No: 381248-04-0 Catalog No: AG003GW4 MDL No:MFCD03094997
Product Description
Catalog Number:
AG003GW4
Chemical Name:
(2-Chloropyridin-3-yl)boronic acid
CAS Number:
381248-04-0
Molecular Formula:
C5H5BClNO2
Molecular Weight:
157.3627
MDL Number:
MFCD03094997
IUPAC Name:
(2-chloropyridin-3-yl)boronic acid
InChI:
InChI=1S/C5H5BClNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3,9-10H
InChI Key:
VRDAOVQZVXYRNH-UHFFFAOYSA-N
SMILES:
OB(c1cccnc1Cl)O
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.01g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.36g/mol
Monoisotopic Mass:
157.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and characterization of a highly effective Hog1 inhibitor: a powerful tool for analyzing MAP kinase signaling in yeast. | PloS one 20110101 |
| A solid-state (11)b NMR and computational study of boron electric field gradient and chemical shift tensors in boronic acids and boronic esters. | The journal of physical chemistry. A 20100422 |
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