| CAS Number | 151451-83-1 |
| Catalog Number | AG01ELCG |
| Chemical Name | 4-iodo-1-phenyl-1H-1,2,3-triazole |
| IUPAC Name | 4-iodo-1-phenyltriazole |
| InChI | InChI=1S/C8H6IN3/c9-8-6-12(11-10-8)7-4-2-1-3-5-7/h1-6H |
| InChI Key | NEFAQUVHKDSMCE-UHFFFAOYSA-N |
| MDL Number | MFCD29086869 |
| Molecular Formula | C8H6IN3 |
| Molecular Weight | 271.0578 |
| SMILES | IC1N=NN(C2=CC=CC=C2)C=1 |
| Synonyms | SCHEMBL2889068,
NEFAQUVHKDSMCE-UHFFFAOYSA-N,
4-iodo-1-phenyl-1H-1,2,3-triazole,
1-phenyl-4-iodo-1H-[1,2,3]triazole,
151451-83-1,
|
| Complexity | 147 |
| 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 |
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Certificate of Analysis
Lot Number