| CAS Number | 1281983-77-4 |
| Catalog Number | AG01DV6N |
| Chemical Name | 2-Fluoro-4-(1H-tetrazol-5-yl)benzoic acid |
| IUPAC Name | 2-fluoro-4-(2H-tetrazol-5-yl)benzoic acid |
| InChI | InChI=1S/C8H5FN4O2/c9-6-3-4(7-10-12-13-11-7)1-2-5(6)8(14)15/h1-3H,(H,14,15)(H,10,11,12,13) |
| InChI Key | WZADURDEXDTRDQ-UHFFFAOYSA-N |
| MDL Number | MFCD24485317 |
| Molecular Formula | C8H5FN4O2 |
| Molecular Weight | 208.1493 |
| SMILES | O=C(O)C=1C=CC(=CC1F)C2=NN=NN2 |
| Synonyms | 1281983-77-4,
2-fluoro-4-(1h-tetrazol-5-yl)benzoic acid,
Benzoicacid,2-fluoro-4-(2H-tetrazol-5-yl)-,
SCHEMBL1482781,
SCHEMBL16543998,
WZADURDEXDTRDQ-UHFFFAOYSA-N,
2-fluoro-4-(1H-tetrazol-5-yl)-benzoic acid,
2-Fluoro-4-(1H-tetrazole-5-yl)benzoic acid,
Benzoic acid, 2-fluoro-4-(2H-tetrazol-5-yl)-,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.152g/mol |
| Monoisotopic Mass | 208.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number