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Home > Boronic Acids > 872041-85-5
872041-85-5 | 5-Chloropyridine-3-boronic acid
CAS No: 872041-85-5 Catalog No: AG0036CR MDL No:MFCD06798243
Product Description
Catalog Number:
AG0036CR
Chemical Name:
5-Chloropyridine-3-boronic acid
CAS Number:
872041-85-5
Molecular Formula:
C5H5BClNO2
Molecular Weight:
157.3627
MDL Number:
MFCD06798243
IUPAC Name:
(5-chloropyridin-3-yl)boronic acid
InChI:
InChI=1S/C5H5BClNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3,9-10H
InChI Key:
NJXYBTMCTZAUEE-UHFFFAOYSA-N
SMILES:
OB(c1cncc(c1)Cl)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
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