| CAS Number | 78361-06-5 |
| Catalog Number | AG01B977(AGN-PC-0NK0N6) |
| Chemical Name | 5-Ethoxy-2-nitrobenzoic acid |
| IUPAC Name | 5-ethoxy-2-nitrobenzoic acid |
| InChI | InChI=1S/C9H9NO5/c1-2-15-6-3-4-8(10(13)14)7(5-6)9(11)12/h3-5H,2H2,1H3,(H,11,12) |
| InChI Key | VMMWCLBSFKXENH-UHFFFAOYSA-N |
| MDL Number | MFCD09736050 |
| Molecular Formula | C9H9NO5 |
| Molecular Weight | 211.1715 |
| SMILES | CCOC1=CC(C(O)=O)=C([N+]([O-])=O)C=C1 |
| Synonyms | 5-ETHOXY-2-NITROBENZOIC ACID,
78361-06-5,
CTK6G1474,
ZINC22214518,
AKOS000143710,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.173g/mol |
| Monoisotopic Mass | 211.048g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number