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Home > Boronic Acids > 1218791-31-1
1218791-31-1 | 2-Pyridinecarboxylic acid, 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 1218791-31-1 Catalog No: AG0016BP MDL No:MFCD13195755
Product Description
Catalog Number:
AG0016BP
Chemical Name:
2-Pyridinecarboxylic acid, 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1218791-31-1
Molecular Formula:
C14H20BNO4
Molecular Weight:
277.1239
MDL Number:
MFCD13195755
IUPAC Name:
methyl 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
InChI:
InChI=1S/C14H20BNO4/c1-9-7-10(8-16-11(9)12(17)18-6)15-19-13(2,3)14(4,5)20-15/h7-8H,1-6H3
InChI Key:
SYOVFAXZDVGADR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(cc1C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.149g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.127g/mol
Monoisotopic Mass:
277.149g/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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