| CAS Number | 39653-87-7 |
| Catalog Number | AG01B14R(AGN-PC-0RKE9F) |
| Chemical Name | 4-Methoxy-3-nitrophenyl acetate |
| IUPAC Name | (4-methoxy-3-nitrophenyl) acetate |
| InChI | InChI=1S/C9H9NO5/c1-6(11)15-7-3-4-9(14-2)8(5-7)10(12)13/h3-5H,1-2H3 |
| InChI Key | XUZGGGXQVSZPDD-UHFFFAOYSA-N |
| MDL Number | MFCD18078612 |
| Molecular Formula | C9H9NO5 |
| Molecular Weight | 211.1715 |
| SMILES | COC1=C([N+]([O-])=O)C=C(OC(C)=O)C=C1 |
| Synonyms | 4-methoxy-3-nitrophenyl acetate,
39653-87-7,
2-nitro-4-acetyloxyanisole,
2-nitro-4-acetyloxy-anisole,
SCHEMBL376107,
XUZGGGXQVSZPDD-UHFFFAOYSA-N,
STL214925,
ZINC32594170,
AKOS015859733,
MCULE-5313257517,
Phenol, 4-methoxy-3-nitro-, 1-acetate,
FT-0769271,
ST45237855,
4-Methoxy-3-nitrophenylacetate,
|
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.173g/mol |
| Monoisotopic Mass | 211.048g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number