| CAS Number | 1006-50-4 |
| Catalog Number | AG0002FX(AGN-PC-03JA0U) |
| Chemical Name | Quinoline, 5-iodo- |
| IUPAC Name | 5-iodoquinoline |
| InChI | InChI=1S/C9H6IN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H |
| InChI Key | QUSDYFSFXQORKN-UHFFFAOYSA-N |
| MDL Number | MFCD11183301 |
| Molecular Formula | C9H6IN |
| Molecular Weight | 255.0551 |
| SMILES | IC1=C2C=CC=NC2=CC=C1 |
| Synonyms | 5-Iodoquinoline,
1006-50-4,
Quinoline, 5-iodo-,
SCHEMBL566334,
CTK7C3492,
DTXSID80621691,
QUSDYFSFXQORKN-UHFFFAOYSA-N,
ACT10605,
ANW-62707,
ZINC26507144,
AKOS009319463,
AJ-82493,
DB-082740,
TC-151452,
FT-0740291,
ST24044819,
Z2235681465,
C9H6IN,
ACN-036035,
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| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.058g/mol |
| Monoisotopic Mass | 254.954g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number