| CAS Number | 927801-74-9 |
| Catalog Number | AG00H2JW(AGN-PC-0WD498) |
| Chemical Name | 4-iodo-1,2-dihydroisoquinolin-1-one |
| IUPAC Name | 4-iodo-2H-isoquinolin-1-one |
| InChI | InChI=1S/C9H6INO/c10-8-5-11-9(12)7-4-2-1-3-6(7)8/h1-5H,(H,11,12) |
| InChI Key | NUAKXGUCEWBUNE-UHFFFAOYSA-N |
| MDL Number | MFCD08437037 |
| Molecular Formula | C9H6INO |
| Molecular Weight | 271.0545 |
| SMILES | IC1=CNC(C2=CC=CC=C12)=O |
| Synonyms | 4-Iodoisoquinolin-1(2H)-one,
927801-74-9,
4-IODOISOQUINOLIN-1-OL,
1(2H)-Isoquinolinone, 4-iodo-,
SCHEMBL4217282,
DTXSID50590623,
1-HYDROXY-4-IODOISOQUINOLINE,
ZINC19721683,
4-iodo-1,2-dihydroisoquinolin-1-one,
AKOS022176299,
AJ-74404,
SC-49045,
UX00004627,
Z2216711532,
4-Iodo-1(2H)-isoquinolone,
N/A,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.057g/mol |
| Monoisotopic Mass | 270.949g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^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