| CAS Number | 124358-24-3 |
| Catalog Number | AG009GFK(AGN-PC-01X7Q8) |
| Chemical Name | 2-Methyl-5-nitrobenzoic acid ethyl ester |
| IUPAC Name | ethyl 2-methyl-5-nitrobenzoate |
| InChI | InChI=1S/C10H11NO4/c1-3-15-10(12)9-6-8(11(13)14)5-4-7(9)2/h4-6H,3H2,1-2H3 |
| InChI Key | OWSPBONPFGBEFL-UHFFFAOYSA-N |
| MDL Number | MFCD11111004 |
| Molecular Formula | C9H9NO4 |
| Molecular Weight | 195.1721 |
| SMILES | [N+](=O)([O-])C1C=CC=C(C=1)C(OCC)=O |
| Synonyms | Ethyl 2-methyl-5-nitrobenzoate,
124358-24-3,
SCHEMBL550516,
DTXSID50594303,
OWSPBONPFGBEFL-UHFFFAOYSA-N,
ZINC21303487,
AKOS009486127,
AJ-78437,
TL8007223,
FT-0745183,
|
| 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 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number