| CAS Number | 103440-98-8 |
| Catalog Number | AG0094MJ(AGN-PC-0OSEJI) |
| Chemical Name | 4-Ethoxy-2-nitrobenzoic acid |
| IUPAC Name | 4-ethoxy-2-nitrobenzoic acid |
| InChI | InChI=1S/C9H9NO5/c1-2-15-6-3-4-7(9(11)12)8(5-6)10(13)14/h3-5H,2H2,1H3,(H,11,12) |
| InChI Key | ASIBMPOSLZTHOI-UHFFFAOYSA-N |
| MDL Number | MFCD09909646 |
| Molecular Formula | C9H9NO5 |
| Molecular Weight | 211.1715 |
| NSC Number | 509716 |
| SMILES | CCOC1=CC=C(C(O)=O)C(=C1)[N+]([O-])=O |
| Synonyms | 4-ethoxy-2-nitrobenzoic acid,
103440-98-8,
NSC509716,
Benzoic acid, 4-ethoxy-2-nitro- (6CI),
AC1L6W6W,
AC1Q1YE1,
CTK8G4718,
DTXSID70325535,
ZINC1603363,
MFCD09909646,
AKOS022175160,
NSC-509716,
AJ-28061,
BBV-45171026,
DS-10723,
AX8165151,
FT-0725000,
CID350402,
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| 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
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Certificate of Analysis
Lot Number