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Home > Boronic Acids > 874363-18-5
874363-18-5 | (N-AcrylaMidophenyl)boronic acid pinacol ester
CAS No: 874363-18-5 Catalog No: AG00GUBC MDL No:MFCD22493996
Product Description
Catalog Number:
AG00GUBC
Chemical Name:
(N-AcrylaMidophenyl)boronic acid pinacol ester
CAS Number:
874363-18-5
Molecular Formula:
C15H20BNO3
Molecular Weight:
273.1352
MDL Number:
MFCD22493996
IUPAC Name:
N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enamide
InChI:
InChI=1S/C15H20BNO3/c1-6-13(18)17-12-9-7-8-11(10-12)16-19-14(2,3)15(4,5)20-16/h6-10H,1H2,2-5H3,(H,17,18)
InChI Key:
WKGCJEIDCOQEPG-UHFFFAOYSA-N
SMILES:
C=CC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.154g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.139g/mol
Monoisotopic Mass:
273.154g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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