| CAS Number | 77859-57-5 |
| Catalog Number | AG019MA6(AGN-PC-0WOJA6) |
| Chemical Name | 6-chloro-5-nitro-2,3-dihydro-1H-indol-2-one |
| IUPAC Name | 6-chloro-5-nitro-1,3-dihydroindol-2-one |
| InChI | InChI=1S/C8H5ClN2O3/c9-5-3-6-4(2-8(12)10-6)1-7(5)11(13)14/h1,3H,2H2,(H,10,12) |
| InChI Key | KKHHDJYQGADKEQ-UHFFFAOYSA-N |
| MDL Number | MFCD10686703 |
| Molecular Formula | C8H5ClN2O3 |
| Molecular Weight | 212.5899 |
| SMILES | [O-][N+](C1=C(Cl)C=C2C(CC(N2)=O)=C1)=O |
| Synonyms | 6-chloro-5-nitro-2,3-dihydro-1H-indol-2-one,
77859-57-5,
6-Chloro-5-nitroindolin-2-one,
6-chloro-5-nitro-1,3-dihydro-2H-indol-2-one,
AC1Q1WWT,
SCHEMBL8647059,
2-oxo-5-nitro-6-chloroindoline,
CTK7H5934,
KKHHDJYQGADKEQ-UHFFFAOYSA-N,
ZINC12480641,
AKOS009159029,
MCULE-7400734273,
NE26498,
CS-0055878,
EN300-35578,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.589g/mol |
| Monoisotopic Mass | 211.999g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number