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Home > Boronic Acids > 1072945-69-7
1072945-69-7 | (4-Chloropyridin-3-yl)boronic acid hydrochloride
CAS No: 1072945-69-7 Catalog No: AG007ESF MDL No:MFCD09972093
Product Description
Catalog Number:
AG007ESF
Chemical Name:
(4-Chloropyridin-3-yl)boronic acid hydrochloride
CAS Number:
1072945-69-7
Molecular Formula:
C5H6BCl2NO2
Molecular Weight:
193.8236
MDL Number:
MFCD09972093
IUPAC Name:
(4-chloropyridin-3-yl)boronic acid;hydrochloride
InChI:
InChI=1S/C5H5BClNO2.ClH/c7-5-1-2-8-3-4(5)6(9)10;/h1-3,9-10H;1H
InChI Key:
AYQLYGOQLKWDHE-UHFFFAOYSA-N
SMILES:
OB(c1cnccc1Cl)O.Cl
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.987g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
193.818g/mol
Monoisotopic Mass:
192.987g/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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