2,4-Diaminoisoindole-1,3-dione - CAS 121433-36-1
Catalog: |
BB062755 |
Product Name: |
2,4-Diaminoisoindole-1,3-dione |
CAS: |
121433-36-1 |
Synonyms: |
2,4-diaminoisoindole-1,3-dione |
IUPAC Name: | 2,4-diaminoisoindole-1,3-dione |
Description: | 2,4-Diaminoisoindole-1,3-dione |
Molecular Weight: | 177.16 |
Molecular Formula: | C8H7N3O2 |
Canonical SMILES: | C1=CC2=C(C(=C1)N)C(=O)N(C2=O)N |
InChI: | InChI=1S/C8H7N3O2/c9-5-3-1-2-4-6(5)8(13)11(10)7(4)12/h1-3H,9-10H2 |
InChI Key: | OFWOUIMOCCPPGO-UHFFFAOYSA-N |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.053826475 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 89.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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