| CAS Number | 10399-67-4 |
| Catalog Number | AG00HA8X(AGN-PC-0WRA3G) |
| Chemical Name | Ethyl 5-methoxy-2-nitrobenzoate |
| IUPAC Name | ethyl 5-methoxy-2-nitrobenzoate |
| InChI | InChI=1S/C10H11NO5/c1-3-16-10(12)8-6-7(15-2)4-5-9(8)11(13)14/h4-6H,3H2,1-2H3 |
| InChI Key | LAGJXPKDLOTAIS-UHFFFAOYSA-N |
| MDL Number | MFCD12913344 |
| Molecular Formula | C10H11NO5 |
| Molecular Weight | 225.1980 |
| SMILES | C1(C=C(OC)C=CC=1[N+](=O)[O-])C(OCC)=O |
| Synonyms | ethyl 5-methoxy-2-nitrobenzoate,
10399-67-4,
ZINC63236500,
TL80090107,
Benzoic acid, 5-methoxy-2-nitro-, ethyl ester,
ethyl 2-nitro-5-methoxybenzoate,
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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 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number