| CAS Number | 90923-08-3 |
| Catalog Number | AG00IGCS(AGN-PC-001KMK) |
| Chemical Name | Ethyl 2-methoxy-5-nitrobenzoate |
| IUPAC Name | ethyl 2-methoxy-5-nitrobenzoate |
| InChI | InChI=1S/C10H11NO5/c1-3-16-10(12)8-6-7(11(13)14)4-5-9(8)15-2/h4-6H,3H2,1-2H3 |
| InChI Key | LLMJDYSVAYKBJC-UHFFFAOYSA-N |
| MDL Number | MFCD06204760 |
| Molecular Formula | C10H11NO5 |
| Molecular Weight | 225.1980 |
| SMILES | [N+](=O)([O-])C1C=CC(=C(C(OCC)=O)C=1)OC |
| Synonyms | Ethyl 2-methoxy-5-nitrobenzoate,
90923-08-3,
SCHEMBL4941803,
DTXSID40561140,
LLMJDYSVAYKBJC-UHFFFAOYSA-N,
BBL022757,
MFCD06204760,
STL253546,
ZINC15446172,
AKOS000446856,
MCULE-7276512882,
DA-01388,
SC-42819,
TL8005830,
FT-0716885,
H2988,
2-METHOXY-5-NITROBENZOICACIDETHYLESTER,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.2g/mol |
| Monoisotopic Mass | 225.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number