| CAS Number | 1426904-69-9 |
| Catalog Number | AG00IXHL(AGN-PC-0WB2FS) |
| Chemical Name | 7-Hydroxy-6-iodo-3,4-dihydroquinolin-2(1H)-one |
| IUPAC Name | 7-hydroxy-6-iodo-3,4-dihydro-1H-quinolin-2-one |
| InChI | InChI=1S/C9H8INO2/c10-6-3-5-1-2-9(13)11-7(5)4-8(6)12/h3-4,12H,1-2H2,(H,11,13) |
| InChI Key | STMRQRQRIDHQOK-UHFFFAOYSA-N |
| MDL Number | MFCD23697505 |
| Molecular Formula | C9H8INO2 |
| Molecular Weight | 289.0698 |
| SMILES | IC1(=C(O)C=C2(NC(=O)CCC2(=C1))) |
| Synonyms | 1426904-69-9,
7-hydroxy-6-iodo-1,2,3,4-tetrahydroquinolin-2-one,
7-Hydroxy-6-iodo-3,4-dihydroquinolin-2(1H)-one,
KS-00001QBC,
ZX-RL000739,
MFCD23697505,
ZINC91294542,
AKOS015996939,
FCH2329019,
NG-0716,
OR303227,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.072g/mol |
| Monoisotopic Mass | 288.96g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number