| CAS Number | 69976-28-9 |
| Catalog Number | AG005S7A(AGN-PC-0NJ2PB) |
| Chemical Name | 8-Nitroquinoline-4-carbaldehyde |
| IUPAC Name | 8-nitroquinoline-4-carbaldehyde |
| InChI | InChI=1S/C10H6N2O3/c13-6-7-4-5-11-10-8(7)2-1-3-9(10)12(14)15/h1-6H |
| InChI Key | XJYXBOSMRSJTEE-UHFFFAOYSA-N |
| MDL Number | MFCD06824406 |
| Molecular Formula | C10H6N2O3 |
| Molecular Weight | 202.1662 |
| SMILES | O=CC1=CC=NC2=C([N+]([O-])=O)C=CC=C12 |
| Synonyms | 8-Nitroquinoline-4-carbaldehyde,
69976-28-9,
8-nitroquinoline-4-carboxaldehyde,
SCHEMBL9364397,
CTK1H5230,
DTXSID50499465,
8-Nitro-4-quinolinecarboxaldehyde,
ZINC1526890,
4-Quinolinecarboxaldehyde, 8-nitro-,
MFCD06824406,
AKOS002854855,
AK174506,
AS-39997,
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| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.169g/mol |
| Monoisotopic Mass | 202.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.8A^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