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1048647-68-2 | N-Benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CAS No: 1048647-68-2 Catalog No: AG003SR8 MDL No:MFCD09266183
Product Description
Catalog Number:
AG003SR8
Chemical Name:
N-Benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CAS Number:
1048647-68-2
Molecular Formula:
C20H24BNO3
Molecular Weight:
337.2205
MDL Number:
MFCD09266183
IUPAC Name:
N-benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI:
InChI=1S/C20H24BNO3/c1-19(2)20(3,4)25-21(24-19)17-12-8-11-16(13-17)18(23)22-14-15-9-6-5-7-10-15/h5-13H,14H2,1-4H3,(H,22,23)
InChI Key:
FIKRNCQRGXLNPR-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)B1OC(C(O1)(C)C)(C)C)NCc1ccccc1
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.185g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.226g/mol
Monoisotopic Mass:
337.185g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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