| CAS Number | 2138039-99-1 |
| Catalog Number | AG01EHT2 |
| Chemical Name | lithium(1+) ion 2-(2H-1,2,3-benzotriazol-2-yl)acetate |
| IUPAC Name | lithium;2-(benzotriazol-2-yl)acetate |
| InChI | InChI=1S/C8H7N3O2.Li/c12-8(13)5-11-9-6-3-1-2-4-7(6)10-11;/h1-4H,5H2,(H,12,13);/q;+1/p-1 |
| InChI Key | ZYMYZKUCOFYXCY-UHFFFAOYSA-M |
| MDL Number | MFCD31606440 |
| Molecular Formula | C8H6LiN3O2 |
| Molecular Weight | 183.0931 |
| SMILES | [Li+].[O-]C(CN1N=C2C(C=CC=C2)=N1)=O |
| Synonyms | lithium(1+) ion 2-(2H-1,2,3-benzotriazol-2-yl)acetate,
2138039-99-1,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.095g/mol |
| Monoisotopic Mass | 183.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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