| CAS Number | 128200-32-8 |
| Catalog Number | AG000XVC(AGN-PC-00434W) |
| Chemical Name | 1H-Indole-3-carboxamide, 5-nitro- |
| IUPAC Name | 5-nitro-1H-indole-3-carboxamide |
| InChI | InChI=1S/C9H7N3O3/c10-9(13)7-4-11-8-2-1-5(12(14)15)3-6(7)8/h1-4,11H,(H2,10,13) |
| InChI Key | KQXIVONHGWKTQB-UHFFFAOYSA-N |
| MDL Number | MFCD22493435 |
| Molecular Formula | C9H7N3O3 |
| Molecular Weight | 205.1702 |
| SMILES | NC(=O)C1=CNC2=C1C=C(C=C2)[N+]([O-])=O |
| Synonyms | 5-nitroindole-3-carboxamide,
5-Nitro-1H-indole-3-carboxamide,
128200-32-8,
5-nitroindole-3-carboxamide,
SCHEMBL3624516,
CTK8C2229,
DTXSID20569624,
KQXIVONHGWKTQB-UHFFFAOYSA-N,
1H-Indole-3-carboxamide, 5-nitro-,
5407AA,
ANW-68054,
MFCD22493435,
ZINC34493261,
AJ-88903,
AS-40469,
TC-156799,
CS-0062164,
FT-0727821,
C9H7N3O3,
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| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.173g/mol |
| Monoisotopic Mass | 205.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number