200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 208332-52-9
208332-52-9 | 1H-Isoindole-1,3(2H)-dione, 2-[(nitrooxy)methyl]-
CAS No: 208332-52-9 Catalog No: AG002JN8 MDL No:
Product Description
Catalog Number:
AG002JN8
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(nitrooxy)methyl]-
CAS Number:
208332-52-9
Molecular Formula:
C9H6N2O5
Molecular Weight:
222.1543
IUPAC Name:
(1,3-dioxoisoindol-2-yl)methyl nitrate
InChI:
InChI=1S/C9H6N2O5/c12-8-6-3-1-2-4-7(6)9(13)10(8)5-16-11(14)15/h1-4H,5H2
InChI Key:
YMLWSLNPDWEKNG-UHFFFAOYSA-N
SMILES:
O=C1N(CO[N+](=O)[O-])C(=O)c2c1cccc2
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.156g/mol
Monoisotopic Mass:
222.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and pharmacological evaluation of novel hybrid compounds to treat sickle cell disease symptoms. | Journal of medicinal chemistry 20110825 |
| Mutagenicity of new lead compounds to treat sickle cell disease symptoms in a Salmonella/microsome assay. | International journal of molecular sciences 20100101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.