| CAS Number | 57148-23-9 |
| Catalog Number | AG00EKOY(AGN-PC-0K3C81) |
| Chemical Name | 2-Ethoxy-5-nitrobenzoic acid |
| IUPAC Name | 2-ethoxy-5-nitrobenzoic acid |
| InChI | InChI=1S/C9H9NO5/c1-2-15-8-4-3-6(10(13)14)5-7(8)9(11)12/h3-5H,2H2,1H3,(H,11,12) |
| InChI Key | XRKKMLOKFZITPU-UHFFFAOYSA-N |
| MDL Number | MFCD05625816 |
| Molecular Formula | C9H9NO5 |
| Molecular Weight | 211.1715 |
| SMILES | CCOc1ccc(cc1C(=O)O)[N+](=O)[O-] |
| Synonyms | 2-ethoxy-5-nitrobenzoic acid,
57148-23-9,
2-ethoxy-5-nitro-benzoic Acid,
AC1LP7VA,
SCHEMBL18113435,
CTK6G2375,
Benzoic acid, 2-ethoxy-5-nitro-,
ZINC5027747,
STK397874,
AKOS000112226,
MCULE-7507048024,
ST45099776,
SR-01000283309,
SR-01000283309-1,
CID1302578,
|
| 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 | 1.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number