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Home > Boronic Acids > 957065-99-5
957065-99-5 | 6-(Methoxycarbonyl)pyridine-3-boronic acid pinacol ester
CAS No: 957065-99-5 Catalog No: AG0036P5 MDL No:MFCD08063051
Product Description
Catalog Number:
AG0036P5
Chemical Name:
6-(Methoxycarbonyl)pyridine-3-boronic acid pinacol ester
CAS Number:
957065-99-5
Molecular Formula:
C13H18BNO4
Molecular Weight:
263.0973
MDL Number:
MFCD08063051
IUPAC Name:
methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
InChI:
InChI=1S/C13H18BNO4/c1-12(2)13(3,4)19-14(18-12)9-6-7-10(15-8-9)11(16)17-5/h6-8H,1-5H3
InChI Key:
IXKFGVRURWXXKX-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.133g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.1g/mol
Monoisotopic Mass:
263.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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