| CAS Number | 667452-47-3 |
| Catalog Number | AG01A21F(AGN-PC-0OFVO7) |
| Chemical Name | 1-ethyl-4-[(E)-2-nitroethenyl]benzene |
| IUPAC Name | 1-ethyl-4-(2-nitroethenyl)benzene |
| InChI | InChI=1S/C10H11NO2/c1-2-9-3-5-10(6-4-9)7-8-11(12)13/h3-8H,2H2,1H3 |
| InChI Key | IZWSBQRAUOSJFM-UHFFFAOYSA-N |
| MDL Number | MFCD01317586 |
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.1998 |
| SMILES | CCC1=CC=C(/C=C/[N+]([O-])=O)C=C1 |
| Synonyms | 1-ethyl-4-(2-nitroethenyl)benzene,
667452-47-3,
62248-87-7,
CTK2C3937,
DTXSID50738341,
AKOS017433985,
Benzene, 1-ethyl-4-(2-nitroethenyl)-,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.203g/mol |
| Monoisotopic Mass | 177.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number