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Home > Boronic Acids > 109445-19-4
109445-19-4 | (3-(nicotinamido)phenyl)boronic acid
CAS No: 109445-19-4 Catalog No: AG01DTPU MDL No:
Product Description
Catalog Number:
AG01DTPU
Chemical Name:
(3-(nicotinamido)phenyl)boronic acid
CAS Number:
109445-19-4
Molecular Formula:
C12H11BN2O3
Molecular Weight:
242.0383
IUPAC Name:
[3-(pyridine-3-carbonylamino)phenyl]boronic acid
InChI:
InChI=1S/C12H11BN2O3/c16-12(9-3-2-6-14-8-9)15-11-5-1-4-10(7-11)13(17)18/h1-8,17-18H,(H,15,16)
InChI Key:
RERGRRRYERIRAC-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)Nc1cccc(c1)B(O)O
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.086g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
242.041g/mol
Monoisotopic Mass:
242.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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