| CAS Number | 5576-98-7 |
| Catalog Number | AG01A5OJ(AGN-PC-0OC9GT) |
| Chemical Name | 1-nitro-4-[(E)-2-nitroethenyl]benzene |
| IUPAC Name | 1-nitro-4-(2-nitroethenyl)benzene |
| InChI | InChI=1S/C8H6N2O4/c11-9(12)6-5-7-1-3-8(4-2-7)10(13)14/h1-6H |
| InChI Key | HABXLWPUIWFTNM-UHFFFAOYSA-N |
| MDL Number | MFCD00052058 |
| Molecular Formula | C8H6N2O4 |
| Molecular Weight | 194.1442 |
| SMILES | [O-][N+](/C=C/C1=CC=C([N+]([O-])=O)C=C1)=O |
| Synonyms | 1-nitro-4-(2-nitroethenyl)benzene,
5576-98-7,
AC1L3BHM,
Maybridge1_007484,
ACMC-1CQ84,
p-nitrophenyl-2-nitroethylene,
CTK4G7359,
HABXLWPUIWFTNM-UHFFFAOYSA-N,
1-nitro-4-(2-nitro-vinyl)-benzene,
Benzene,1-nitro-4-(2-nitroethenyl)-,
MCULE-1340524704,
DB-068479,
FT-0622887,
BETA,4-DINITROSTYRENE,
1-nitro-4-(2-nitrovinyl)benzene,
NSC38668,
CID137842,
3156-41-0,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.146g/mol |
| Monoisotopic Mass | 194.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number