| CAS Number | 212189-48-5 |
| Catalog Number | AG00I42D(AGN-PC-0WQWTU) |
| Chemical Name | Methyl 3-(4-nitrophenoxy)benzoate |
| IUPAC Name | methyl 3-(4-nitrophenoxy)benzoate |
| InChI | InChI=1S/C14H11NO5/c1-19-14(16)10-3-2-4-13(9-10)20-12-7-5-11(6-8-12)15(17)18/h2-9H,1H3 |
| InChI Key | XLZUUZMFAKIMLB-UHFFFAOYSA-N |
| MDL Number | MFCD00416158 |
| Molecular Formula | C14H11NO5 |
| Molecular Weight | 273.2408 |
| SMILES | O=C(OC)C1=CC=CC(OC2=CC=C([N+]([O-])=O)C=C2)=C1 |
| Synonyms | methyl 3-(4-nitrophenoxy)benzoate,
212189-48-5,
AC1MDF1H,
Oprea1_634134,
Oprea1_702164,
ZINC4006281,
MFCD00416158,
STK156052,
AKOS000638003,
MCULE-6043510982,
BAS 00669670,
ST50726130,
3-(4-Nitro-phenoxy)-benzoic acid methyl ester,
ZINC04006281,
CID2835754,
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| 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 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number