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Home > Boronic Acids > 1150561-58-2
1150561-58-2 | 3-Pyridinecarboxylic acid, 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
CAS No: 1150561-58-2 Catalog No: AG000FRT MDL No:MFCD12026091
Product Description
Catalog Number:
AG000FRT
Chemical Name:
3-Pyridinecarboxylic acid, 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
CAS Number:
1150561-58-2
Molecular Formula:
C15H22BNO4
Molecular Weight:
291.1505
MDL Number:
MFCD12026091
IUPAC Name:
ethyl 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate
InChI:
InChI=1S/C15H22BNO4/c1-7-19-13(18)12-8-11(9-17-10(12)2)16-20-14(3,4)15(5,6)21-16/h8-9H,7H2,1-6H3
InChI Key:
JKRVLCLHODKBDC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(cnc1C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.164g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.154g/mol
Monoisotopic Mass:
291.164g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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