200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 171824-52-5
171824-52-5 | 1H-Isoindole-1,3(2H)-dione, 2-methyl-4,7-bis(2-nitrophenyl)-
CAS No: 171824-52-5 Catalog No: AG007DEE MDL No:
Product Description
Catalog Number:
AG007DEE
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-methyl-4,7-bis(2-nitrophenyl)-
CAS Number:
171824-52-5
Molecular Formula:
C21H13N3O6
Molecular Weight:
403.3444
IUPAC Name:
2-methyl-4,7-bis(2-nitrophenyl)isoindole-1,3-dione
InChI:
InChI=1S/C21H13N3O6/c1-22-20(25)18-14(12-6-2-4-8-16(12)23(27)28)10-11-15(19(18)21(22)26)13-7-3-5-9-17(13)24(29)30/h2-11H,1H3
InChI Key:
AVGJGSLWGFOMEE-UHFFFAOYSA-N
SMILES:
CN1C(=O)c2c(C1=O)c(ccc2c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]
Properties
Complexity:
671
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.08g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.35g/mol
Monoisotopic Mass:
403.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.