| CAS Number | 1620655-87-9 |
| Catalog Number | AG01C369 |
| Chemical Name | 2-fluoro-5-(1H-1,2,3-triazol-1-yl)benzoic acid |
| IUPAC Name | 2-fluoro-5-(triazol-1-yl)benzoic acid |
| InChI | InChI=1S/C9H6FN3O2/c10-8-2-1-6(5-7(8)9(14)15)13-4-3-11-12-13/h1-5H,(H,14,15) |
| InChI Key | HAJKUXLKMPOBBR-UHFFFAOYSA-N |
| MDL Number | MFCD28527867 |
| Molecular Formula | C9H6FN3O2 |
| Molecular Weight | 207.1612 |
| SMILES | OC(C1=C(F)C=CC(N2N=NC=C2)=C1)=O |
| Synonyms | 2-fluoro-5-(1H-1,2,3-triazol-1-yl)benzoic acid,
1620655-87-9,
SCHEMBL15882104,
AKOS024079100,
ZINC146325187,
Z2492800076,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.164g/mol |
| Monoisotopic Mass | 207.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number