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Home > Boronic Acids > 893441-85-5
893441-85-5 | 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl);indolin-2-one
CAS No: 893441-85-5 Catalog No: AG003Y2K MDL No:MFCD11855965
Product Description
Catalog Number:
AG003Y2K
Chemical Name:
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl);indolin-2-one
CAS Number:
893441-85-5
Molecular Formula:
C14H18BNO3
Molecular Weight:
259.1086
MDL Number:
MFCD11855965
IUPAC Name:
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one
InChI:
InChI=1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)10-6-5-9-7-12(17)16-11(9)8-10/h5-6,8H,7H2,1-4H3,(H,16,17)
InChI Key:
NXJYMGPXHVQNOT-UHFFFAOYSA-N
SMILES:
O=C1Cc2c(N1)cc(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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