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Home > Boronic Acids > 862081-37-6
862081-37-6 | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isobenzofuran-1(3H)-one
CAS No: 862081-37-6 Catalog No: AG00H2KF MDL No:MFCD18251723
Product Description
Catalog Number:
AG00H2KF
Chemical Name:
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isobenzofuran-1(3H)-one
CAS Number:
862081-37-6
Molecular Formula:
C14H17BO4
Molecular Weight:
260.0934
MDL Number:
MFCD18251723
IUPAC Name:
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-2-benzofuran-1-one
InChI:
InChI=1S/C14H17BO4/c1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-17-12(11)16/h5-7H,8H2,1-4H3
InChI Key:
OPVQSJKJDSJOJD-UHFFFAOYSA-N
SMILES:
O=C1OCc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.122g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.096g/mol
Monoisotopic Mass:
260.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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