| CAS Number | 84228-43-3 |
| Catalog Number | AG01AR5G(AGN-PC-00L9LL) |
| Chemical Name | Ethyl 3-amino-4-nitrobenzoate |
| IUPAC Name | ethyl 3-amino-4-nitrobenzoate |
| InChI | InChI=1S/C9H10N2O4/c1-2-15-9(12)6-3-4-8(11(13)14)7(10)5-6/h3-5H,2,10H2,1H3 |
| InChI Key | ANNPFRZKDGTZHX-UHFFFAOYSA-N |
| MDL Number | MFCD14584886 |
| Molecular Formula | C9H10N2O4 |
| Molecular Weight | 210.1867 |
| SMILES | NC=1C=C(C(=O)OCC)C=CC1[N+](=O)[O-] |
| Synonyms | ethyl 3-amino-4-nitrobenzoate,
84228-43-3,
SCHEMBL6170431,
ethyl 3-amino-4-nitro-benzoate,
ANNPFRZKDGTZHX-UHFFFAOYSA-N,
ZINC38490550,
AKOS015957583,
MCULE-2196901863,
VU0549292-1,
L-2570,
F9995-0110,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.189g/mol |
| Monoisotopic Mass | 210.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 98.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number