| CAS Number | 1360963-23-0 |
| Catalog Number | AG00HUGU(AGN-PC-0WD87O) |
| Chemical Name | 3-iodo-6-nitro-1H-indole |
| IUPAC Name | 3-iodo-6-nitro-1H-indole |
| InChI | InChI=1S/C8H5IN2O2/c9-7-4-10-8-3-5(11(12)13)1-2-6(7)8/h1-4,10H |
| InChI Key | VWYMWFCKFDGAFF-UHFFFAOYSA-N |
| MDL Number | MFCD22558279 |
| Molecular Formula | C8H5IN2O2 |
| Molecular Weight | 288.0420 |
| SMILES | IC1=CNC2=CC(=CC=C12)[N+](=O)[O-] |
| Synonyms | 3-iodo-6-nitro-1H-indole,
1360963-23-0,
SCHEMBL2447653,
MFCD22558279,
AKOS020057795,
ZINC132548296,
KS-000005D1,
AS-53070,
CS-0051305,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.044g/mol |
| Monoisotopic Mass | 287.94g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number