| CAS Number | 184026-06-0 |
| Catalog Number | AG003FI2(AGN-PC-0782CL) |
| Chemical Name | 2,3-Dicyano-6-nitronaphthalene |
| IUPAC Name | 6-nitronaphthalene-2,3-dicarbonitrile |
| InChI | InChI=1S/C12H5N3O2/c13-6-10-3-8-1-2-12(15(16)17)5-9(8)4-11(10)7-14/h1-5H |
| InChI Key | JJSGXASWKOLCMQ-UHFFFAOYSA-N |
| MDL Number | MFCD00130124 |
| Molecular Formula | C12H5N3O2 |
| Molecular Weight | 223.1870 |
| SMILES | [O-][N+](=O)c1ccc2cc(C#N)c(cc2c1)C#N |
| Synonyms | 2,3-Dicyano-6-nitronaphthalene,
184026-06-0,
6-nitronaphthalene-2,3-dicarbonitrile,
ACMC-209eld,
SCHEMBL13144060,
CTK4D8650,
DTXSID10659886,
ZINC2504567,
ANW-23183,
MFCD00130124,
AKOS015836402,
2,3-Naphthalenedicarbonitrile,6-nitro-,
TR-008493,
D2027,
I14-61482,
|
| Complexity | 410 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.191g/mol |
| Monoisotopic Mass | 223.038g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 93.4A^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