| CAS Number | 1351517-03-7 |
| Catalog Number | AG00AANE(AGN-PC-0JF463) |
| Chemical Name | 7,8-Difluoroquinoline-2-carbaldehyde |
| IUPAC Name | 7,8-difluoroquinoline-2-carbaldehyde |
| InChI | InChI=1S/C10H5F2NO/c11-8-4-2-6-1-3-7(5-14)13-10(6)9(8)12/h1-5H |
| InChI Key | WVSIGANJBYYEBZ-UHFFFAOYSA-N |
| MDL Number | MFCD23705464 |
| Molecular Formula | C10H5F2NO |
| Molecular Weight | 193.1496 |
| SMILES | FC1=C(F)C2=C(C=CC(=N2)C=O)C=C1 |
| Synonyms | 7,8-Difluoroquinoline-2-carbaldehyde,
1351517-03-7,
SCHEMBL7454185,
DTXSID90856038,
ZINC91301914,
AKOS016013629,
2-Quinolinecarboxaldehyde, 7,8-difluoro-,
AJ-130042,
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| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.153g/mol |
| Monoisotopic Mass | 193.034g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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