| CAS Number | 139495-88-8 |
| Catalog Number | AG019KKD(AGN-PC-0NKVES) |
| Chemical Name | 2-amino-5-fluoro-6-nitro-1H-indole-3-carboxamide |
| IUPAC Name | 2-amino-5-fluoro-6-nitro-1H-indole-3-carboxamide |
| InChI | InChI=1S/C9H7FN4O3/c10-4-1-3-5(2-6(4)14(16)17)13-8(11)7(3)9(12)15/h1-2,13H,11H2,(H2,12,15) |
| InChI Key | XDKKNTPKFHOZAN-UHFFFAOYSA-N |
| MDL Number | MFCD09040571 |
| Molecular Formula | C9H7FN4O3 |
| Molecular Weight | 238.1753 |
| SMILES | NC(C1C2=C(C=C(C(=C2)F)[N+]([O-])=O)NC=1N)=O |
| Synonyms | 2-amino-5-fluoro-6-nitro-1H-indole-3-carboxamide,
139495-88-8,
2-amino-5-fluoro-6-nitroindole-3-carboxamide,
EN300-27278,
AC1Q4Z6H,
CTK5I2862,
ZINC12505444,
AKOS030740540,
MCULE-3985102632,
NE30207,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.178g/mol |
| Monoisotopic Mass | 238.05g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 131A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number