| CAS Number | 1353878-10-0 |
| Catalog Number | AG00IZTM(AGN-PC-0WB0VD) |
| Chemical Name | 7-chloro-6-hydroxy-5-methyl-2,3-dihydro-1H-isoindol-1-one |
| IUPAC Name | 7-chloro-6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one |
| InChI | InChI=1S/C9H8ClNO2/c1-4-2-5-3-11-9(13)6(5)7(10)8(4)12/h2,12H,3H2,1H3,(H,11,13) |
| InChI Key | QVDBWIVQDRJMDO-UHFFFAOYSA-N |
| MDL Number | MFCD20921592 |
| Molecular Formula | C9H8ClNO2 |
| Molecular Weight | 197.6183 |
| SMILES | ClC1(=C(O)C(=CC2(=C1C(=O)NC2))C) |
| Synonyms | 1353878-10-0,
7-chloro-6-hydroxy-5-methyl-2,3-dihydro-1H-isoindol-1-one,
7-Chloro-6-hydroxy-5-methylisoindolin-1-one,
1h-isoindol-1-one,7-chloro-2,3-dihydro-6-hydroxy-5-methyl-,
chlorohydroxymethyldihydroisoindolone,
ZX-RL003477,
MFCD20921592,
ZINC71789026,
AKOS015991562,
FCH1612801,
MCULE-3211760191,
MF-0019,
RP11622,
KS-000027Q5,
OR310229,
7-chloro-6-hydroxy-5-methyl-2,3-dihydroisoindol-1-one,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.618g/mol |
| Monoisotopic Mass | 197.024g/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