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Home > Boronic Acids > 947533-21-3
947533-21-3 | 6-Acetamidopyridine-3-boronic acid
CAS No: 947533-21-3 Catalog No: AG00IIIG MDL No:MFCD09951917
Product Description
Catalog Number:
AG00IIIG
Chemical Name:
6-Acetamidopyridine-3-boronic acid
CAS Number:
947533-21-3
Molecular Formula:
C7H9BN2O3
Molecular Weight:
179.9690
MDL Number:
MFCD09951917
IUPAC Name:
(6-acetamidopyridin-3-yl)boronic acid
InChI:
InChI=1S/C7H9BN2O3/c1-5(11)10-7-3-2-6(4-9-7)8(12)13/h2-4,12-13H,1H3,(H,9,10,11)
InChI Key:
RCNAHNBBRFXANB-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cn1)B(O)O
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.071g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
179.97g/mol
Monoisotopic Mass:
180.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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