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Home > Boronic Acids > 179117-44-3
179117-44-3 | Benzamide, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 179117-44-3 Catalog No: AG0026TL MDL No:MFCD05663887
Product Description
Catalog Number:
AG0026TL
Chemical Name:
Benzamide, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
179117-44-3
Molecular Formula:
C13H18BNO3
Molecular Weight:
247.0979
MDL Number:
MFCD05663887
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI:
InChI=1S/C13H18BNO3/c1-12(2)13(3,4)18-14(17-12)10-7-5-9(6-8-10)11(15)16/h5-8H,1-4H3,(H2,15,16)
InChI Key:
NWEMAGLLVQDEKL-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.138g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.101g/mol
Monoisotopic Mass:
247.138g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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