| CAS Number | 338748-46-2 |
| Catalog Number | AG019V5Y |
| Chemical Name | 2-(4-fluorophenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid |
| IUPAC Name | 2-(4-fluorophenyl)-5-methyltriazole-4-carboxylic acid |
| InChI | InChI=1S/C10H8FN3O2/c1-6-9(10(15)16)13-14(12-6)8-4-2-7(11)3-5-8/h2-5H,1H3,(H,15,16) |
| InChI Key | KCRVIJNGPBZBGH-UHFFFAOYSA-N |
| MDL Number | MFCD00974813 |
| Molecular Formula | C10H8FN3O2 |
| Molecular Weight | 221.1878 |
| SMILES | CC1C(C(O)=O)=NN(C2=CC=C(F)C=C2)N=1 |
| Synonyms | 2-(4-fluorophenyl)-5-methyl-2H-1,2,3-triazole-4-carboxylic acid,
338748-46-2,
AC1LRSP6,
AC1Q2PW7,
SCHEMBL15603237,
CTK7C0781,
KS-000037YK,
ZINC1389148,
AKOS000349438,
MCULE-1106169215,
NE29037,
EN300-43851,
4M-746,
Z57983112,
2-(4-fluorophenyl)-5-methyltriazole-4-carboxylic acid,
CID1476854,
2-(4-fluorophenyl)-5-methyl-triazole-4-carboxylic Acid,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.191g/mol |
| Monoisotopic Mass | 221.06g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number