| CAS Number | 113187-83-0 |
| Catalog Number | AG00HCOC(AGN-PC-0M3VR0) |
| Chemical Name | Methyl 4-(2-nitrophenoxy)benzoate |
| IUPAC Name | methyl 4-(2-nitrophenoxy)benzoate |
| InChI | InChI=1S/C14H11NO5/c1-19-14(16)10-6-8-11(9-7-10)20-13-5-3-2-4-12(13)15(17)18/h2-9H,1H3 |
| InChI Key | KRQZZFXYCIRVSB-UHFFFAOYSA-N |
| MDL Number | MFCD07265754 |
| Molecular Formula | C14H11NO5 |
| Molecular Weight | 273.2408 |
| SMILES | COC(=O)c1ccc(cc1)Oc1ccccc1[N+](=O)[O-] |
| Synonyms | methyl 4-(2-nitrophenoxy)benzoate,
113187-83-0,
AC1OT03U,
SCHEMBL1340930,
KRQZZFXYCIRVSB-UHFFFAOYSA-N,
ZINC5702656,
MFCD07265754,
AKOS008568287,
2-(4-Methoxycarbonylphenoxy)-1-nitrobenzene,
ZINC05702656,
CID7778992,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.244g/mol |
| Monoisotopic Mass | 273.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number