| CAS Number | 856770-62-2 |
| Catalog Number | AG01ACGR |
| Chemical Name | Ethyl 3-chloro-2-nitrobenzoate |
| IUPAC Name | ethyl 3-chloro-2-nitrobenzoate |
| InChI | InChI=1S/C9H8ClNO4/c1-2-15-9(12)6-4-3-5-7(10)8(6)11(13)14/h3-5H,2H2,1H3 |
| InChI Key | HOGARSMHWIZTTR-UHFFFAOYSA-N |
| MDL Number | MFCD17168784 |
| Molecular Formula | C9H8ClNO4 |
| Molecular Weight | 229.6171 |
| SMILES | CCOC(C1=C([N+]([O-])=O)C(Cl)=CC=C1)=O |
| Synonyms | ethyl 3-chloro-2-nitrobenzoate,
856770-62-2,
SCHEMBL17707781,
ZINC95883455,
AKOS017551021,
NE48097,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.616g/mol |
| Monoisotopic Mass | 229.014g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number