200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 114521-66-3
114521-66-3 | 1H-Isoindole-1,3(2H)-dione, 5-benzoyl-
CAS No: 114521-66-3 Catalog No: AG000EM7 MDL No:
Product Description
Catalog Number:
AG000EM7
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 5-benzoyl-
CAS Number:
114521-66-3
Molecular Formula:
C15H9NO3
Molecular Weight:
251.2369
IUPAC Name:
5-benzoylisoindole-1,3-dione
InChI:
InChI=1S/C15H9NO3/c17-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)15(19)16-14(11)18/h1-8H,(H,16,18,19)
InChI Key:
WGZQUENEIKSNOI-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)c2c1cc(cc2)C(=O)c1ccccc1
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.058g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.241g/mol
Monoisotopic Mass:
251.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.