| CAS Number | 712-73-2 |
| Catalog Number | AG00IC5G(AGN-PC-0WCYBF) |
| Chemical Name | 2-(4-Fluoro-phenyl)-2h-[1,2,3]triazole-4-carbaldehyde |
| IUPAC Name | 2-(4-fluorophenyl)triazole-4-carbaldehyde |
| InChI | InChI=1S/C9H6FN3O/c10-7-1-3-9(4-2-7)13-11-5-8(6-14)12-13/h1-6H |
| InChI Key | JHUJECFDLYXNPK-UHFFFAOYSA-N |
| MDL Number | MFCD11169405 |
| Molecular Formula | C9H6FN3O |
| Molecular Weight | 191.1618 |
| SMILES | FC1=CC=C(C=C1)N1N=CC(C=O)=N1 |
| Synonyms | 712-73-2,
2-(4-fluorophenyl)-2H-1,2,3-triazole-4-carbaldehyde,
2-(4-FLUOROPHENYL)-4-FORMYL-[1,2,3]TRIAZOLE,
SCHEMBL12442424,
MFCD11169405,
ZINC20246519,
AS-37496,
X-3009,
2-(4-Fluoro-phenyl)-2h-[1,2,3]triazole-4-carbaldehyde,
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| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.165g/mol |
| Monoisotopic Mass | 191.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number