| CAS Number | 1423040-58-7 |
| Catalog Number | AG009WVO |
| Chemical Name | 1,3-Bis[5-bromo-2-(trifluoromethyl)phenyl]triaz-1-ene |
| IUPAC Name | 5-bromo-N-[[5-bromo-2-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline |
| InChI | InChI=1S/C14H7Br2F6N3/c15-7-1-3-9(13(17,18)19)11(5-7)23-25-24-12-6-8(16)2-4-10(12)14(20,21)22/h1-6H,(H,23,24) |
| InChI Key | IJOKHPKHCBTIDN-UHFFFAOYSA-N |
| MDL Number | MFCD23135936 |
| Molecular Formula | C14H7Br2F6N3 |
| Molecular Weight | 491.0239 |
| SMILES | Brc1ccc(c(c1)N/N=N/c1cc(Br)ccc1C(F)(F)F)C(F)(F)F |
| Synonyms | 1423040-58-7,
1,3-Bis[5-bromo-2-(trifluoromethyl)phenyl]triaz-1-ene,
1,3-Bis(5-bromo-2-(trifluoromethyl)phenyl)triaz-1-ene,
C14H7Br2F6N3,
ZINC95218083,
AKOS027282799,
V3201,
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| Complexity | 471 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 490.889g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 491.029g/mol |
| Monoisotopic Mass | 488.891g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 36.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.2 |
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Certificate of Analysis
Lot Number