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Home > Boronic Acids > 874459-98-0
874459-98-0 | 3-(2-PyridylcarbaMoyl)benzeneboronic acid, 97%
CAS No: 874459-98-0 Catalog No: AG00H1OZ MDL No:MFCD28167454
Product Description
Catalog Number:
AG00H1OZ
Chemical Name:
3-(2-PyridylcarbaMoyl)benzeneboronic acid, 97%
CAS Number:
874459-98-0
Molecular Formula:
C12H11BN2O3
Molecular Weight:
242.0383
MDL Number:
MFCD28167454
IUPAC Name:
[3-(pyridin-2-ylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C12H11BN2O3/c16-12(15-11-6-1-2-7-14-11)9-4-3-5-10(8-9)13(17)18/h1-8,17-18H,(H,14,15,16)
InChI Key:
ZWLNCTKSPAGVIT-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)B(O)O)Nc1ccccn1
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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