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Home > Boronic Acids > 1257996-76-1
1257996-76-1 | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridine-1(2h)-carboxamide
CAS No: 1257996-76-1 Catalog No: AG00A0J1 MDL No:MFCD18427624
Product Description
Catalog Number:
AG00A0J1
Chemical Name:
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridine-1(2h)-carboxamide
CAS Number:
1257996-76-1
Molecular Formula:
C12H21BN2O3
Molecular Weight:
252.1177
MDL Number:
MFCD18427624
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
InChI:
InChI=1S/C12H21BN2O3/c1-11(2)12(3,4)18-13(17-11)9-5-7-15(8-6-9)10(14)16/h5H,6-8H2,1-4H3,(H2,14,16)
InChI Key:
OIWFJJHYLZZXQL-UHFFFAOYSA-N
SMILES:
NC(=O)N1CCC(=CC1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.165g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.121g/mol
Monoisotopic Mass:
252.165g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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