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Home > Boronic Acids > 1218789-92-4
1218789-92-4 | Acetamide, N-[4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS No: 1218789-92-4 Catalog No: AG001688 MDL No:MFCD15143594
Product Description
Catalog Number:
AG001688
Chemical Name:
Acetamide, N-[4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS Number:
1218789-92-4
Molecular Formula:
C14H19BClNO3
Molecular Weight:
295.5696
MDL Number:
MFCD15143594
IUPAC Name:
N-[4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
InChI:
InChI=1S/C14H19BClNO3/c1-9(18)17-10-6-7-12(16)11(8-10)15-19-13(2,3)14(4,5)20-15/h6-8H,1-5H3,(H,17,18)
InChI Key:
APAJKMVUMKDEIC-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)Cl
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.57g/mol
Monoisotopic Mass:
295.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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