| CAS Number | 884497-63-6 |
| Catalog Number | AG004EIZ(AGN-PC-0WB4M5) |
| Chemical Name | 8-Hydroxy-5-nitroquinoline-2-carbaldehyde |
| IUPAC Name | 8-hydroxy-5-nitroquinoline-2-carbaldehyde |
| InChI | InChI=1S/C10H6N2O4/c13-5-6-1-2-7-8(12(15)16)3-4-9(14)10(7)11-6/h1-5,14H |
| InChI Key | UPHRIPALSZTGGX-UHFFFAOYSA-N |
| MDL Number | MFCD05863703 |
| Molecular Formula | C10H6N2O4 |
| Molecular Weight | 218.1656 |
| SMILES | OC=1C=CC(=C2C=CC(=NC12)C=O)[N+](=O)[O-] |
| Synonyms | 8-hydroxy-5-nitroquinoline-2-carbaldehyde,
884497-63-6,
AC1MYYYR,
SCHEMBL1785442,
CTK5F9881,
DTXSID20397565,
CHEMBRDG-BB 6613830,
ALBB-027853,
ZINC2555571,
ZX-AN052106,
ZX-CM016871,
MFCD05863703,
AKOS022184435,
MCULE-8217226248,
AJ-39795,
8-Hydroxy-5-nitro-2-quinolinecarbaldehyde,
2-quinolinecarboxaldehyde, 8-hydroxy-5-nitro-,
Y-1886,
CID3864449,
8-hydroxy-5-nitro-quinoline-2-carbaldehyde,
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| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.168g/mol |
| Monoisotopic Mass | 218.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 96A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number