| CAS Number | 874133-46-7 |
| Catalog Number | AG019ZK3(AGN-PC-0CZOAJ) |
| Chemical Name | Methyl 2-[(4-nitronaphthalen-1-yl)oxy]acetate |
| IUPAC Name | methyl 2-(4-nitronaphthalen-1-yl)oxyacetate |
| InChI | InChI=1S/C13H11NO5/c1-18-13(15)8-19-12-7-6-11(14(16)17)9-4-2-3-5-10(9)12/h2-7H,8H2,1H3 |
| InChI Key | NWQOKNHRHTYZNY-UHFFFAOYSA-N |
| MDL Number | MFCD18998448 |
| Molecular Formula | C13H11NO5 |
| Molecular Weight | 261.2301 |
| SMILES | COC(COC1=C2C(C=CC=C2)=C([N+]([O-])=O)C=C1)=O |
| Synonyms | methyl 2-[(4-nitronaphthalen-1-yl)oxy]acetate,
874133-46-7,
SCHEMBL592807,
NWQOKNHRHTYZNY-UHFFFAOYSA-N,
ZINC75496532,
AKOS013001339,
MCULE-4023807287,
NE44745,
(4-Nitro-naphthalen-1-yloxy)-acetic acid methyl ester,
(4-nitronaphthalen-1-yloxy)-acetic acid methyl ester,
Z1401082488,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.233g/mol |
| Monoisotopic Mass | 261.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number