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Home > Boronic Acids > 1092563-48-8
1092563-48-8 | (2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)(morpholino)methanone
CAS No: 1092563-48-8 Catalog No: AG007TDZ MDL No:MFCD18837623
Product Description
Catalog Number:
AG007TDZ
Chemical Name:
(2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)(morpholino)methanone
CAS Number:
1092563-48-8
Molecular Formula:
C17H23BClNO4
Molecular Weight:
351.6328
MDL Number:
MFCD18837623
IUPAC Name:
[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-morpholin-4-ylmethanone
InChI:
InChI=1S/C17H23BClNO4/c1-16(2)17(3,4)24-18(23-16)12-5-6-13(14(19)11-12)15(21)20-7-9-22-10-8-20/h5-6,11H,7-10H2,1-4H3
InChI Key:
MKHFRXPMAZUUCQ-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1C(=O)N1CCOCC1)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:
351.141g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.634g/mol
Monoisotopic Mass:
351.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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