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Home > Boronic Acids > 1171891-25-0
1171891-25-0 | 5-(4-Acetamidobutanamido)pyridine-3-boronic acid pinacol ester
CAS No: 1171891-25-0 Catalog No: AG00HDUB MDL No:MFCD13190768
Product Description
Catalog Number:
AG00HDUB
Chemical Name:
5-(4-Acetamidobutanamido)pyridine-3-boronic acid pinacol ester
CAS Number:
1171891-25-0
Molecular Formula:
C17H26BN3O4
Molecular Weight:
347.2170
MDL Number:
MFCD13190768
IUPAC Name:
4-acetamido-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]butanamide
InChI:
InChI=1S/C17H26BN3O4/c1-12(22)20-8-6-7-15(23)21-14-9-13(10-19-11-14)18-24-16(2,3)17(4,5)25-18/h9-11H,6-8H2,1-5H3,(H,20,22)(H,21,23)
InChI Key:
FNUAEWSHFZRLDE-UHFFFAOYSA-N
SMILES:
O=C(Nc1cncc(c1)B1OC(C(O1)(C)C)(C)C)CCCNC(=O)C
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.202g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
347.222g/mol
Monoisotopic Mass:
347.202g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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