| CAS Number | 1499162-58-1 |
| Catalog Number | AG001M4E(AGN-PC-0WGGPE) |
| Chemical Name | 1H-Indazole, 6-ethoxy-5-nitro- |
| IUPAC Name | 6-ethoxy-5-nitro-1H-indazole |
| InChI | InChI=1S/C9H9N3O3/c1-2-15-9-4-7-6(5-10-11-7)3-8(9)12(13)14/h3-5H,2H2,1H3,(H,10,11) |
| InChI Key | QIXSOYWBGCLBKY-UHFFFAOYSA-N |
| MDL Number | MFCD22200959 |
| Molecular Formula | C9H9N3O3 |
| Molecular Weight | 207.1861 |
| SMILES | [N+](=O)([O-])C=1C=C2C=NNC2=CC1OCC |
| Synonyms | 5-nitro-6-ethoxy-1h-indazole,
6-ethoxy-5-nitro-1H-indazole,
1499162-58-1,
A1-01956,
SCHEMBL16024227,
CTK8E5265,
1H-Indazole, 6-ethoxy-5-nitro-,
MFCD22200959,
ZINC77052829,
TRA0051386,
AJ-122615,
ST1100658,
TX-017238,
W-3597,
6-Methoxy-5-nitro-1H-indazole,
152626-75-0,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.189g/mol |
| Monoisotopic Mass | 207.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
|
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Hazard statements
|
H302
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P280-P305+P351+P338
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number