| CAS Number | 908295-26-1 |
| Catalog Number | AG00IGB7(AGN-PC-0WQXMV) |
| Chemical Name | 3-Iodo-5-nitro-1H-indole |
| IUPAC Name | 3-iodo-5-nitro-1H-indole |
| InChI | InChI=1S/C8H5IN2O2/c9-7-4-10-8-2-1-5(11(12)13)3-6(7)8/h1-4,10H |
| InChI Key | YRJOAOLHLHTRDC-UHFFFAOYSA-N |
| MDL Number | MFCD11501399 |
| Molecular Formula | C8H5IN2O2 |
| Molecular Weight | 288.0420 |
| SMILES | IC1=CNC2=CC=C(C=C12)[N+](=O)[O-] |
| Synonyms | 3-Iodo-5-nitro-1H-indole,
908295-26-1,
3-IODO-5-NITROINDOLE,
C8H5IN2O2,
1H-Indole, 3-iodo-5-nitro-,
5-nitro-3-iodoindole,
3-iodo-5-nitro-indole,
1h-indole,3-iodo-5-nitro-,
SCHEMBL2948808,
DTXSID00630962,
YRJOAOLHLHTRDC-UHFFFAOYSA-N,
MFCD11501399,
ZINC44138497,
AKOS017561542,
DA-01450,
FT-0746270,
|
| 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 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number