| CAS Number | 1360607-69-7 |
| Catalog Number | AG01ELK9 |
| Chemical Name | 2-(4-Iodo-1H-1,2,3-triazol-1-yl)acetic acid |
| IUPAC Name | 2-(4-iodotriazol-1-yl)acetic acid |
| InChI | InChI=1S/C4H4IN3O2/c5-3-1-8(7-6-3)2-4(9)10/h1H,2H2,(H,9,10) |
| InChI Key | LYEAOPYLXGHDLZ-UHFFFAOYSA-N |
| MDL Number | MFCD31559638 |
| Molecular Formula | C4H4IN3O2 |
| Molecular Weight | 252.9979 |
| SMILES | IC=1N=NN(C1)CC(=O)O |
| Synonyms | 2-(4-iodo-1H-1,2,3-triazol-1-yl)acetic acid,
1360607-69-7,
CHEMBL2068876,
SCHEMBL15495599,
LYEAOPYLXGHDLZ-UHFFFAOYSA-N,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.999g/mol |
| Monoisotopic Mass | 252.935g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number