| CAS Number | 59827-85-9 |
| Catalog Number | AG00IAM6(AGN-PC-003XLX) |
| Chemical Name | 5-Amino-6-nitro-1H-isoindole-1,3(2H)-dione |
| IUPAC Name | 5-amino-6-nitroisoindole-1,3-dione |
| 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 |
| MDL Number | MFCD13186915 |
| Molecular Formula | C8H5N3O4 |
| Molecular Weight | 207.1430 |
| SMILES | NC=1C=C2C(NC(C2=CC1[N+](=O)[O-])=O)=O |
| Synonyms | 5-amino-6-nitroisoindoline-1,3-dione,
4-Amino-5-nitrophthalimide,
59827-85-9,
SCHEMBL438741,
CTK1E6434,
DTXSID90569010,
JOPWCYFGRYCBEF-UHFFFAOYSA-N,
KM4395,
ZINC40449681,
5-Amino-6-nitro-isoindole-1,3-dione,
BP-10502,
OR322901,
5-Amino-6-nitro-1H-isoindole-1,3(2H)-dione,
1H-Isoindole-1,3(2H)-dione, 5-amino-6-nitro-,
5-amino-6-nitroisoindole-1,3-dione,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.145g/mol |
| Monoisotopic Mass | 207.028g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 118A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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