5-Amino-6-nitroisoindoline-1,3-dione - CAS 59827-85-9
Catalog: |
BB074648 |
Product Name: |
5-Amino-6-nitroisoindoline-1,3-dione |
CAS: |
59827-85-9 |
Synonyms: |
5-amino-6-nitroisoindoline-1,3-dione; 5-amino-6-nitroisoindole-1,3-dione; 4-Amino-5-nitrophthalimide; 5-Amino-6-nitro-isoindole-1,3-dione |
IUPAC Name: | 5-amino-6-nitroisoindole-1,3-dione |
Description: | 5-Amino-6-nitroisoindoline-1,3-dione |
Molecular Weight: | 207.14 |
Molecular Formula: | C8H5N3O4 |
Canonical SMILES: | C1=C2C(=CC(=C1N)[N+](=O)[O-])C(=O)NC2=O |
InChI: | InChI=1S/C8H5N3O4/c9-5-1-3-4(2-6(5)11(14)15)8(13)10-7(3)12/h1-2H,9H2,(H,10,12,13) |
InChI Key: | JOPWCYFGRYCBEF-UHFFFAOYSA-N |
Complexity: | 337 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.02800565 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.02800565 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 118Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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