| CAS Number | 104679-38-1 |
| Catalog Number | AG019S8H(AGN-PC-02QB82) |
| Chemical Name | 3-(4-chloro-3-nitrophenyl)-1,3-oxazolidin-2-one |
| IUPAC Name | 3-(4-chloro-3-nitrophenyl)-1,3-oxazolidin-2-one |
| InChI | InChI=1S/C9H7ClN2O4/c10-7-2-1-6(5-8(7)12(14)15)11-3-4-16-9(11)13/h1-2,5H,3-4H2 |
| InChI Key | OIVANVCNWCWJLD-UHFFFAOYSA-N |
| MDL Number | MFCD20502003 |
| Molecular Formula | C9H7ClN2O4 |
| Molecular Weight | 242.6159 |
| SMILES | [O-][N+](C1=C(Cl)C=CC(N2C(=O)OCC2)=C1)=O |
| Synonyms | 3-(4-chloro-3-nitrophenyl)-1,3-oxazolidin-2-one,
104679-38-1,
SCHEMBL9776304,
ZINC71790360,
NE16641,
EN300-92201,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.615g/mol |
| Monoisotopic Mass | 242.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number