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Home > Boronic Acids > 1201644-52-1
1201644-52-1 | N-cyclopropyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)nicotinaMide
CAS No: 1201644-52-1 Catalog No: AG009552 MDL No:MFCD11878277
Product Description
Catalog Number:
AG009552
Chemical Name:
N-cyclopropyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)nicotinaMide
CAS Number:
1201644-52-1
Molecular Formula:
C15H21BN2O3
Molecular Weight:
288.1498
MDL Number:
MFCD11878277
IUPAC Name:
N-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide
InChI:
InChI=1S/C15H21BN2O3/c1-14(2)15(3,4)21-16(20-14)11-7-10(8-17-9-11)13(19)18-12-5-6-12/h7-9,12H,5-6H2,1-4H3,(H,18,19)
InChI Key:
MJGNAJWFUMNJLT-UHFFFAOYSA-N
SMILES:
O=C(c1cncc(c1)B1OC(C(O1)(C)C)(C)C)NC1CC1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.165g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.154g/mol
Monoisotopic Mass:
288.165g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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