| CAS Number | 103205-48-7 |
| Catalog Number | AG01AL2K |
| Chemical Name | Methyl 2-ethyl-5-nitrobenzoate |
| IUPAC Name | methyl 2-ethyl-5-nitrobenzoate |
| InChI | InChI=1S/C10H11NO4/c1-3-7-4-5-8(11(13)14)6-9(7)10(12)15-2/h4-6H,3H2,1-2H3 |
| InChI Key | QCBAWUWFMSIGNL-UHFFFAOYSA-N |
| MDL Number | MFCD24123502 |
| Molecular Formula | C10H11NO4 |
| Molecular Weight | 209.1986 |
| SMILES | CCC1=C(C(OC)=O)C=C([N+]([O-])=O)C=C1 |
| Synonyms | methyl 2-ethyl-5-nitrobenzoate,
103205-48-7,
SCHEMBL2527342,
QCBAWUWFMSIGNL-UHFFFAOYSA-N,
AKOS020122301,
ZINC146060287,
Ethyl-5-nitrobenzoic acid methyl ester,
2-Ethyl-5-nitrobenzoic Acid Methyl Ester,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.201g/mol |
| Monoisotopic Mass | 209.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number