| CAS Number | 79476-07-6 |
| Catalog Number | AG0058L8(AGN-PC-005CIP) |
| Chemical Name | 3-Iodoquinoline |
| IUPAC Name | 3-iodoquinoline |
| InChI | InChI=1S/C9H6IN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H |
| InChI Key | NDQXBRCPYKGVED-UHFFFAOYSA-N |
| MDL Number | MFCD11656390 |
| Molecular Formula | C9H6IN |
| Molecular Weight | 255.0551 |
| SMILES | IC1=CC2=CC=CC=C2N=C1 |
| Synonyms | 3-iodoquinoline,
79476-07-6,
Quinoline, 3-iodo-,
SCHEMBL372216,
CTK2G4132,
DTXSID00460241,
NDQXBRCPYKGVED-UHFFFAOYSA-N,
CI-455,
MFCD11656390,
ZINC34429244,
AKOS016012435,
MCULE-9069165906,
NE45200,
AJ-88493,
AS-44973,
DB-082486,
FT-0749064,
EN300-75393,
3-Iodo-quinoline,
CID11253836,
|
| 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 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number