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Home > Boronic Acids > 1821640-79-2
1821640-79-2 | (3-(isonicotinamido)phenyl)boronic acid
CAS No: 1821640-79-2 Catalog No: AG01DUCV MDL No:
Product Description
Catalog Number:
AG01DUCV
Chemical Name:
(3-(isonicotinamido)phenyl)boronic acid
CAS Number:
1821640-79-2
Molecular Formula:
C12H11BN2O3
Molecular Weight:
242.0383
IUPAC Name:
[3-(pyridine-4-carbonylamino)phenyl]boronic acid
InChI:
InChI=1S/C12H11BN2O3/c16-12(9-4-6-14-7-5-9)15-11-3-1-2-10(8-11)13(17)18/h1-8,17-18H,(H,15,16)
InChI Key:
MBHNUTSMGOJZDJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1)Nc1cccc(c1)B(O)O
Properties
Complexity:
283
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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