| CAS Number | 1019033-05-6 |
| Catalog Number | AG01BJ86 |
| Chemical Name | 3-chloro-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazole |
| IUPAC Name | 3-chloro-4-[(4-fluorophenyl)methyl]-1,2,4-triazole |
| InChI | InChI=1S/C9H7ClFN3/c10-9-13-12-6-14(9)5-7-1-3-8(11)4-2-7/h1-4,6H,5H2 |
| InChI Key | XVQFHJMDQZDCBV-UHFFFAOYSA-N |
| MDL Number | MFCD09995796 |
| Molecular Formula | C9H7ClFN3 |
| Molecular Weight | 211.6234 |
| SMILES | FC1=CC=C(CN2C(Cl)=NN=C2)C=C1 |
| Synonyms | 3-chloro-4-(4-fluorobenzyl)-4H-1,2,4-triazole,
1019033-05-6,
AKOS012690821,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.624g/mol |
| Monoisotopic Mass | 211.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number