| CAS Number | 80074-90-4 |
| Catalog Number | AG00G9LM(AGN-PC-0JYTJT) |
| Chemical Name | Ethyl 2-ethoxy-5-nitrobenzoate |
| IUPAC Name | ethyl 2-ethoxy-5-nitrobenzoate |
| InChI | InChI=1S/C11H13NO5/c1-3-16-10-6-5-8(12(14)15)7-9(10)11(13)17-4-2/h5-7H,3-4H2,1-2H3 |
| InChI Key | XBYMFRCPFAPCLJ-UHFFFAOYSA-N |
| MDL Number | MFCD04213558 |
| Molecular Formula | C11H13NO5 |
| Molecular Weight | 239.2246 |
| SMILES | CCOC(=O)c1cc(ccc1OCC)[N+](=O)[O-] |
| Synonyms | ethyl 2-ethoxy-5-nitrobenzoate,
80074-90-4,
AC1LJJIR,
SCHEMBL12236634,
ZINC616612,
BBL019331,
MFCD04213558,
STK279149,
AKOS000369488,
MCULE-2426485758,
H4697,
SR-01000269233,
SR-01000269233-1,
CID975184,
ZINC00616612,
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.227g/mol |
| Monoisotopic Mass | 239.079g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number