| CAS Number | 885520-66-1 |
| Catalog Number | AG008BSR(AGN-PC-04Q5CN) |
| Chemical Name | 6-Methoxy-4-nitro-1H-indole |
| IUPAC Name | 6-methoxy-4-nitro-1H-indole |
| InChI | InChI=1S/C9H8N2O3/c1-14-6-4-8-7(2-3-10-8)9(5-6)11(12)13/h2-5,10H,1H3 |
| InChI Key | RLVKBTVJWNDOSQ-UHFFFAOYSA-N |
| MDL Number | MFCD07781716 |
| Molecular Formula | C9H8N2O3 |
| Molecular Weight | 192.1714 |
| SMILES | COc1cc2[nH]ccc2c(c1)[N+](=O)[O-] |
| Synonyms | 6-Methoxy-4-nitro-1H-indole,
885520-66-1,
6-Methoxy-4-nitroindole,
CTK8B9328,
DTXSID80646344,
4354AC,
ANW-62357,
FCH857360,
ZINC14983759,
AKOS006286638,
SB15289,
AJ-66066,
AK102188,
QC-10728,
AX8233727,
TC-151102,
FT-0738842,
W-3300,
C9H8N2O3,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.174g/mol |
| Monoisotopic Mass | 192.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number