| CAS Number | 1809031-84-2 |
| Catalog Number | AG01DZ15 |
| Chemical Name | 1-(3-IODOPHENYL)-4-(3-NITROPHENYL)-1H-1,2,3-TRIAZOLE |
| IUPAC Name | 1-(3-iodophenyl)-4-(3-nitrophenyl)triazole |
| InChI | InChI=1S/C14H9IN4O2/c15-11-4-2-5-12(8-11)18-9-14(16-17-18)10-3-1-6-13(7-10)19(20)21/h1-9H |
| InChI Key | LSVWEYNSNZJEGB-UHFFFAOYSA-N |
| MDL Number | MFCD31620757 |
| Molecular Formula | C14H9IN4O2 |
| Molecular Weight | 392.1513 |
| SMILES | IC=1C=C(C=CC1)N1N=NC(=C1)C1=CC(=CC=C1)[N+](=O)[O-] |
| Synonyms | CHEMBL3617836,
1-(3-Iodophenyl)-4-(3-nitrophenyl)-1H-1,2,3-triazole,
1809031-84-2,
(1-(3-Iodophenyl)-4-(3-Nitrophenyl)-1,2,3-Triazole),
BDBM50120417,
N/A,
|
| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 391.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 392.156g/mol |
| Monoisotopic Mass | 391.977g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number