| CAS Number | 1292369-51-7 |
| Catalog Number | AG009YNO(AGN-PC-0WG3UR) |
| Chemical Name | 1-(3-fluorophenyl)-1H-1,2,4-triazole-3-carboxylic acid |
| IUPAC Name | 1-(3-fluorophenyl)-1,2,4-triazole-3-carboxylic acid |
| InChI | InChI=1S/C9H6FN3O2/c10-6-2-1-3-7(4-6)13-5-11-8(12-13)9(14)15/h1-5H,(H,14,15) |
| InChI Key | ZZRGWKUNFQGVSY-UHFFFAOYSA-N |
| MDL Number | MFCD13190743 |
| Molecular Formula | C9H6FN3O2 |
| Molecular Weight | 207.1612 |
| SMILES | OC(=O)C1=NN(C=N1)C1=CC=CC(F)=C1 |
| Synonyms | 1-(3-fluorophenyl)-1H-1,2,4-triazole-3-carboxylic acid,
1292369-51-7,
SCHEMBL15019455,
ZZRGWKUNFQGVSY-UHFFFAOYSA-N,
MFCD13190743,
AKOS025149260,
ZINC215547924,
AS-54814,
CS-0037259,
1-(3-Fluoro-phenyl)-1H-[1,2,4]-triazole-3-carboxylic acid,
1-(3-Fluoro-phenyl)-1H-[1,2,4]triazole-3-carboxylic acid,
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| 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 | 1.6 |
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Certificate of Analysis
Lot Number