| CAS Number | 98395-64-3 |
| Catalog Number | AG00IK2Q(AGN-PC-0KHA7Q) |
| Chemical Name | N-[2-(2-Nitrophenoxy)ethyl]phthalimide |
| IUPAC Name | 2-[2-(2-nitrophenoxy)ethyl]isoindole-1,3-dione |
| InChI | InChI=1S/C16H12N2O5/c19-15-11-5-1-2-6-12(11)16(20)17(15)9-10-23-14-8-4-3-7-13(14)18(21)22/h1-8H,9-10H2 |
| InChI Key | QVYXLUNMNXBJCP-UHFFFAOYSA-N |
| MDL Number | MFCD07706483 |
| Molecular Formula | C16H12N2O5 |
| Molecular Weight | 312.2769 |
| SMILES | O=C1N(CCOc2ccccc2[N+](=O)[O-])C(=O)c2c1cccc2 |
| Synonyms | N-[2-(2-Nitrophenoxy)ethyl]phthalimide,
98395-64-3,
2-(2-(2-Nitrophenoxy)ethyl)isoindoline-1,3-dione,
AC1M7VB0,
ZINC3382224,
AKOS007958546,
MCULE-4264709417,
V9908,
2-[2-(2-nitrophenoxy)ethyl]isoindole-1,3-dione,
1H-Isoindole-1,3(2H)-dione, 2-[2-(2-nitrophenoxy)ethyl]-,
C16H12N2O5,
ZINC03382224,
CID2500479,
|
| Complexity | 465 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.281g/mol |
| Monoisotopic Mass | 312.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number