| CAS Number | 169284-08-6 |
| Catalog Number | AG00HZAA(AGN-PC-0WO5PJ) |
| Chemical Name | sodium 2-(1H-1,2,3-benzotriazol-1-yl)acetate |
| IUPAC Name | sodium;2-(benzotriazol-1-yl)acetate |
| InChI | InChI=1S/C8H7N3O2.Na/c12-8(13)5-11-7-4-2-1-3-6(7)9-10-11;/h1-4H,5H2,(H,12,13);/q;+1/p-1 |
| InChI Key | PXXNIAUJCFGELM-UHFFFAOYSA-M |
| MDL Number | MFCD08444238 |
| Molecular Formula | C8H6N3NaO2 |
| Molecular Weight | 199.1419 |
| SMILES | [Na+].[O-]C(CN1C2=C(C=CC=C2)N=N1)=O |
| Synonyms | sodium 1H-1,2,3-benzotriazol-1-ylacetate,
sodium 2-(1H-1,2,3-benzotriazol-1-yl)acetate,
169284-08-6,
AC1Q1V8P,
CTK5I5031,
MFCD08444238,
AKOS001258525,
NE13847,
EN300-24347,
sodium 2-(1H-benzo[d][1,2,3]triazol-1-yl)acetate,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.145g/mol |
| Monoisotopic Mass | 199.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number