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Home > Boronic Acids > 148493-34-9

148493-34-9

148493-34-9 | Boronic acid, B-(2,6-dichloro-3-pyridinyl)-

CAS No: 148493-34-9 Catalog No: AG001KYB MDL No:MFCD03094989

Product Description

Catalog Number:
AG001KYB
Chemical Name:
Boronic acid, B-(2,6-dichloro-3-pyridinyl)-
CAS Number:
148493-34-9
Molecular Formula:
C5H4BCl2NO2
Molecular Weight:
191.8078
MDL Number:
MFCD03094989
IUPAC Name:
(2,6-dichloropyridin-3-yl)boronic acid
InChI:
InChI=1S/C5H4BCl2NO2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2,10-11H
InChI Key:
XBBLBQZAVMHEER-UHFFFAOYSA-N
SMILES:
OB(c1ccc(nc1Cl)Cl)O

Properties

Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.971g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
191.802g/mol
Monoisotopic Mass:
190.971g/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
3-Amino-phenyl-boronic acid monohydrate. Acta crystallographica. Section E, Structure reports online 20100601

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