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Home > Boronic Acids > 2096994-97-5
2096994-97-5 | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinecarboxamide
CAS No: 2096994-97-5 Catalog No: AG00J3EZ MDL No:MFCD11878162
Product Description
Catalog Number:
AG00J3EZ
Chemical Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinecarboxamide
CAS Number:
2096994-97-5
Molecular Formula:
C12H17BN2O3
Molecular Weight:
248.0860
MDL Number:
MFCD11878162
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide
InChI:
InChI=1S/C12H17BN2O3/c1-11(2)12(3,4)18-13(17-11)8-5-6-15-9(7-8)10(14)16/h5-7H,1-4H3,(H2,14,16)
InChI Key:
CSHBTZCOWNUVPN-UHFFFAOYSA-N
SMILES:
NC(=O)c1nccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.133g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.089g/mol
Monoisotopic Mass:
248.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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