| CAS Number | 1461713-27-8 |
| Catalog Number | AG01A6LC |
| Chemical Name | 4-(2-methoxyethoxy)-3-nitrobenzonitrile |
| IUPAC Name | 4-(2-methoxyethoxy)-3-nitrobenzonitrile |
| InChI | InChI=1S/C10H10N2O4/c1-15-4-5-16-10-3-2-8(7-11)6-9(10)12(13)14/h2-3,6H,4-5H2,1H3 |
| InChI Key | IGJJYVYYZMHHDU-UHFFFAOYSA-N |
| MDL Number | MFCD26407601 |
| Molecular Formula | C10H10N2O4 |
| Molecular Weight | 222.1974 |
| SMILES | COCCOC1=C([N+]([O-])=O)C=C(C#N)C=C1 |
| Synonyms | 4-(2-methoxyethoxy)-3-nitrobenzonitrile,
1461713-27-8,
SCHEMBL19175680,
ZINC67016611,
BC2330091,
EN300-133341,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.2g/mol |
| Monoisotopic Mass | 222.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 88.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number