200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 138500-87-5
138500-87-5 | 1H-Isoindole-1,3(2H)-dione, 2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-
CAS No: 138500-87-5 Catalog No: AG0019BO MDL No:MFCD02179489
Product Description
Catalog Number:
AG0019BO
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-
CAS Number:
138500-87-5
Molecular Formula:
C21H22BNO4
Molecular Weight:
363.2147
MDL Number:
MFCD02179489
IUPAC Name:
2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]isoindole-1,3-dione
InChI:
InChI=1S/C21H22BNO4/c1-20(2)21(3,4)27-22(26-20)15-11-9-14(10-12-15)13-23-18(24)16-7-5-6-8-17(16)19(23)25/h5-12H,13H2,1-4H3
InChI Key:
ZLSIUDAKDAXZRV-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccc(cc2)B2OC(C(O2)(C)C)(C)C)C(=O)c2c1cccc2
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.164g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.22g/mol
Monoisotopic Mass:
363.164g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.