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Home > Boronic Acids > 850568-25-1
850568-25-1 | (4-(Pyridin-2-ylcarbamoyl)phenyl)boronic acid
CAS No: 850568-25-1 Catalog No: AG004Z7R MDL No:MFCD06659876
Product Description
Catalog Number:
AG004Z7R
Chemical Name:
(4-(Pyridin-2-ylcarbamoyl)phenyl)boronic acid
CAS Number:
850568-25-1
Molecular Formula:
C12H11BN2O3
Molecular Weight:
242.0383
MDL Number:
MFCD06659876
IUPAC Name:
[4-(pyridin-2-ylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C12H11BN2O3/c16-12(15-11-3-1-2-8-14-11)9-4-6-10(7-5-9)13(17)18/h1-8,17-18H,(H,14,15,16)
InChI Key:
LEAZDTWQWNXKJM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)B(O)O)Nc1ccccn1
Properties
Complexity:
281
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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