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Home > Boronic Acids > 864754-51-8
864754-51-8 | Benzamide,N-(3-methyl-5-isothiazolyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 864754-51-8 Catalog No: AG004MPY MDL No:
Product Description
Catalog Number:
AG004MPY
Chemical Name:
Benzamide,N-(3-methyl-5-isothiazolyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
864754-51-8
Molecular Formula:
C17H21BN2O3S
Molecular Weight:
344.2362
IUPAC Name:
N-(3-methyl-1,2-thiazol-5-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI:
InChI=1S/C17H21BN2O3S/c1-11-10-14(24-20-11)19-15(21)12-6-8-13(9-7-12)18-22-16(2,3)17(4,5)23-18/h6-10H,1-5H3,(H,19,21)
InChI Key:
SVEFXBTZMGERJW-UHFFFAOYSA-N
SMILES:
Cc1nsc(c1)NC(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.137g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.236g/mol
Monoisotopic Mass:
344.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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