| CAS Number | 150187-64-7 |
| Catalog Number | AG001MEP(AGN-PC-003XWQ) |
| Chemical Name | 1H-Indazole, 5-nitro-1-(tetrahydro-2H-pyran-2-yl)- |
| IUPAC Name | 5-nitro-1-(oxan-2-yl)indazole |
| InChI | InChI=1S/C12H13N3O3/c16-15(17)10-4-5-11-9(7-10)8-13-14(11)12-3-1-2-6-18-12/h4-5,7-8,12H,1-3,6H2 |
| InChI Key | CXFMGDIFPKDLMQ-UHFFFAOYSA-N |
| MDL Number | MFCD19443355 |
| Molecular Formula | C12H13N3O3 |
| Molecular Weight | 247.2499 |
| SMILES | O=[N+](C1=CC2=C(N(C3CCCCO3)N=C2)C=C1)[O-] |
| Synonyms | 5-Nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole,
150187-64-7,
1-(Tetrahydro-2H-pyran-2-yl)-5-nitro-1H-indazole,
SCHEMBL5413224,
CTK8B8628,
DTXSID30569059,
CXFMGDIFPKDLMQ-UHFFFAOYSA-N,
7513AA,
ANW-60928,
MFCD19443355,
AKOS016003367,
5-Nitro-1-(oxan-2-yl)-1H-indazole,
AX8224671,
TC-149673,
Y5730,
5-nitro-1-tetrahydro-2H-pyran-2-yl-1H-indazole,
5-nitro-1-(tetrahydro-2H-pyran-2-yl)-IH-indazole,
1H-Indazole, 5-nitro-1-(tetrahydro-2H-pyran-2-yl)-,
C12H13N3O3,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.254g/mol |
| Monoisotopic Mass | 247.096g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number