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Home > Boronic Acids > 1004294-80-7
1004294-80-7 | 1H-Isoindol-1-one, 2,3-dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1004294-80-7 Catalog No: AG0001YK MDL No:MFCD11849992
Product Description
Catalog Number:
AG0001YK
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1004294-80-7
Molecular Formula:
C14H18BNO3
Molecular Weight:
259.1086
MDL Number:
MFCD11849992
IUPAC Name:
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one
InChI:
InChI=1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)10-6-5-9-8-16-12(17)11(9)7-10/h5-7H,8H2,1-4H3,(H,16,17)
InChI Key:
BUORFAFSDKNVNY-UHFFFAOYSA-N
SMILES:
O=C1NCc2c1cc(cc2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.138g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.112g/mol
Monoisotopic Mass:
259.138g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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