| CAS Number | 1152542-08-9 |
| Catalog Number | AG01A15I(AGN-PC-0WO0OD) |
| Chemical Name | 3-(2,6-difluorophenyl)-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 5-(2,6-difluorophenyl)-1H-pyrazole-4-carbaldehyde |
| InChI | InChI=1S/C10H6F2N2O/c11-7-2-1-3-8(12)9(7)10-6(5-15)4-13-14-10/h1-5H,(H,13,14) |
| InChI Key | ZYJVTZVRZMCKMI-UHFFFAOYSA-N |
| MDL Number | MFCD10694840 |
| Molecular Formula | C10H6F2N2O |
| Molecular Weight | 208.1642 |
| SMILES | FC1=C(C2C(C=O)=CNN=2)C(F)=CC=C1 |
| Synonyms | 3-(2,6-difluorophenyl)-1H-pyrazole-4-carbaldehyde,
1152542-08-9,
ZINC34956918,
AKOS005205390,
AKOS023562824,
NE18406,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.168g/mol |
| Monoisotopic Mass | 208.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number