| CAS Number | 433920-89-9 |
| Catalog Number | AG00DFXK(AGN-PC-0WAKTS) |
| Chemical Name | 2-Fluoro-4-(1H-1,2,4-triazol-1-yl)benzaldehyde |
| IUPAC Name | 2-fluoro-4-(1,2,4-triazol-1-yl)benzaldehyde |
| InChI | InChI=1S/C9H6FN3O/c10-9-3-8(2-1-7(9)4-14)13-6-11-5-12-13/h1-6H |
| InChI Key | OCVNRSDLZVWHQY-UHFFFAOYSA-N |
| MDL Number | MFCD08669922 |
| Molecular Formula | C9H6FN3O |
| Molecular Weight | 191.1618 |
| SMILES | FC1=C(N2N=CN=C2)C=CC(C=O)=C1 |
| Synonyms | 2-FLUORO-4-(1H-1,2,4-TRIAZOL-1-YL)BENZALDEHYDE,
433920-89-9,
2-Fluoro-4-[1,2,4]triazol-1-yl-benzaldehyde,
1216592-60-7,
CTK4I7296,
DTXSID10674296,
5994AB,
FCH862339,
ZINC35635893,
AKOS006290509,
RP25075,
ACM433920899,
AJ-91968,
AX8074827,
J-509383,
C9H6FN3O,
2-FLUORO-4- BENZALDEHYDE,
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| Complexity | 214 |
| 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 | 1.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number