| CAS Number | 1864014-68-5 |
| Catalog Number | AG01AMQE |
| Chemical Name | 1-(3-iodophenyl)-1H-1,2,3-triazole |
| IUPAC Name | 1-(3-iodophenyl)triazole |
| InChI | InChI=1S/C8H6IN3/c9-7-2-1-3-8(6-7)12-5-4-10-11-12/h1-6H |
| InChI Key | JIGOIJDJRMQQPT-UHFFFAOYSA-N |
| MDL Number | MFCD29041062 |
| Molecular Formula | C8H6IN3 |
| Molecular Weight | 271.0578 |
| SMILES | IC1=CC(N2N=NC=C2)=CC=C1 |
| Synonyms | 1-(3-iodophenyl)-1H-1,2,3-triazole,
1864014-68-5,
AKOS033805909,
ZINC238853361,
Z2216315788,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.061g/mol |
| Monoisotopic Mass | 270.961g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number