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Home Carbonyls Boronic acid, [4-[(3-pyridinylamino)carbonyl]phenyl]

Boronic acid, [4-[(3-pyridinylamino)carbonyl]phenyl]

CAS No.:
874460-06-7
Catalog Number:
AG01DTQQ
Molecular Formula:
C12H11BN2O3
Molecular Weight:
242.0383
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Product Description
Catalog Number:
AG01DTQQ
Chemical Name:
Boronic acid, [4-[(3-pyridinylamino)carbonyl]phenyl]
CAS Number:
874460-06-7
Molecular Formula:
C12H11BN2O3
Molecular Weight:
242.0383
MDL Number:
MFCD31648847
IUPAC Name:
[4-(pyridin-3-ylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C12H11BN2O3/c16-12(15-11-2-1-7-14-8-11)9-3-5-10(6-4-9)13(17)18/h1-8,17-18H,(H,15,16)
InChI Key:
DLDSNWWIKFLZRM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)B(O)O)Nc1cccnc1
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
Properties