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Home > Boronic Acids > 913835-65-1
913835-65-1 | Boronicacid, B-4-pyridinyl-, hydrochloride (1:1)
CAS No: 913835-65-1 Catalog No: AG006NKK MDL No:MFCD06201888
Product Description
Catalog Number:
AG006NKK
Chemical Name:
Boronicacid, B-4-pyridinyl-, hydrochloride (1:1)
CAS Number:
913835-65-1
Molecular Formula:
C5H7BClNO2
Molecular Weight:
159.3786
MDL Number:
MFCD06201888
IUPAC Name:
pyridin-4-ylboronic acid;hydrochloride
InChI:
InChI=1S/C5H6BNO2.ClH/c8-6(9)5-1-3-7-4-2-5;/h1-4,8-9H;1H
InChI Key:
NCZXYQJUECNKAD-UHFFFAOYSA-N
SMILES:
OB(c1ccncc1)O.Cl
Properties
Complexity:
83
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.026g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
159.376g/mol
Monoisotopic Mass:
159.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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