Home Boronic acids [4-[(2-Pyridinylamino)methyl]phenyl]boronic acid

[4-[(2-Pyridinylamino)methyl]phenyl]boronic acid

CAS No.:
568581-08-8
Catalog Number:
AG01FFXM
Molecular Formula:
C12H13BN2O2
Molecular Weight:
228.0548
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Product Description
Catalog Number:
AG01FFXM
Chemical Name:
[4-[(2-Pyridinylamino)methyl]phenyl]boronic acid
CAS Number:
568581-08-8
Molecular Formula:
C12H13BN2O2
Molecular Weight:
228.0548
MDL Number:
MFCD31916456
IUPAC Name:
[4-[(pyridin-2-ylamino)methyl]phenyl]boronic acid
InChI:
InChI=1S/C12H13BN2O2/c16-13(17)11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h1-8,16-17H,9H2,(H,14,15)
InChI Key:
DBKSJHGXZQAIMF-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)CNc1ccccn1)O
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.107g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
228.058g/mol
Monoisotopic Mass:
228.107g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties