| Catalog Number | ACM5076506 |
| CAS | 5076-50-6 |
| IUPAC Name | 3-nitro-N-[(3-nitrophenyl)diazenyl]aniline |
| Synonyms | MLS002919840;5076-50-6;(1e)-1,3-bis(3-nitrophenyl)triaz-1-ene;NSC125604;CHEMBL573372;1,3-Bis(3-nitrophenyl)triazene;DTXSID10964987;1,3-bis(3-nitrophenyl)-1-triazene;1,3-bis(3-nitrophenyl)triaz-1-ene;STL573963;ZINC18119876;MCULE-4960589413;NSC-125604;SMR001797440;3-nitro-N-[(E)-(3-nitrophenyl)azo]aniline;AB00080434-01;1-Triazene, 1,3-bis(3-nitrophenyl)-, (1E)-;SR-01000204335;SR-01000204335-1 |
| Molecular Weight | 287.23g/mol |
| Molecular Formula | C12H9N5O4 |
| Canonical SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NN=NC2=CC(=CC=C2)[N+](=O)[O-] |
| InChI | InChI=1S/C12H9N5O4/c18-16(19)11-5-1-3-9(7-11)13-15-14-10-4-2-6-12(8-10)17(20)21/h1-8H,(H,13,14) |
| InChI Key | QFVCXCJCBCTQAP-UHFFFAOYSA-N |
| Complexity | 405 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 287.06545379g/mol |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Monoisotopic Mass | 287.06545379g/mol |
| NSC Number | 125604 |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 128Ų |
| X Log P3 | 3.7 |