| CAS Number | 143814-63-5 |
| Catalog Number | AG00IT34(AGN-PC-0PUMEC) |
| Chemical Name | 1,4-dimethoxy-2-nitro-3-[(E)-2-nitroethenyl]benzene |
| IUPAC Name | 1,4-dimethoxy-2-nitro-3-(2-nitroethenyl)benzene |
| InChI | InChI=1S/C10H10N2O6/c1-17-8-3-4-9(18-2)10(12(15)16)7(8)5-6-11(13)14/h3-6H,1-2H3 |
| InChI Key | PSBWJWZJTFUALX-UHFFFAOYSA-N |
| MDL Number | MFCD00277337 |
| Molecular Formula | C10H10N2O6 |
| Molecular Weight | 254.1962 |
| SMILES | COC1=C(C(=C(C=C1)OC)\C=C\[N+](=O)[O-])[N+](=O)[O-] |
| Synonyms | 143814-63-5,
1,4-dimethoxy-2-nitro-3-[(E)-2-nitroethenyl]benzene,
AC1MBLHR,
Maybridge1_006436,
KS-000021SH,
AKOS030241515,
MCULE-5575154816,
1,4-dimethoxy-2-nitro-3-(2-nitroethenyl)benzene,
ZINC03138440,
CID2727471,
|
| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.198g/mol |
| Monoisotopic Mass | 254.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number