| CAS Number | 1567015-18-2 |
| Catalog Number | AG01DVP5 |
| Chemical Name | Methyl 4-chloro-3-methyl-5-nitrobenzoate |
| IUPAC Name | methyl 4-chloro-3-methyl-5-nitrobenzoate |
| InChI | InChI=1S/C9H8ClNO4/c1-5-3-6(9(12)15-2)4-7(8(5)10)11(13)14/h3-4H,1-2H3 |
| InChI Key | SOZUENKOINTEGW-UHFFFAOYSA-N |
| MDL Number | MFCD26856632 |
| Molecular Formula | C9H8ClNO4 |
| Molecular Weight | 229.6171 |
| SMILES | O=C(OC)C1=CC([N+]([O-])=O)=C(Cl)C(C)=C1 |
| Synonyms | methyl 4-chloro-3-methyl-5-nitrobenzoate,
1567015-18-2,
SCHEMBL10608607,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.616g/mol |
| Monoisotopic Mass | 229.014g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number