| CAS Number | 866154-07-6 |
| Catalog Number | AG01B2MA |
| Chemical Name | 6-(4-Fluorophenoxy)pyridine-3-carbaldehyde |
| IUPAC Name | 6-(4-fluorophenoxy)pyridine-3-carbaldehyde |
| InChI | InChI=1S/C12H8FNO2/c13-10-2-4-11(5-3-10)16-12-6-1-9(8-15)7-14-12/h1-8H |
| InChI Key | CXDXKVFZZZMJQB-UHFFFAOYSA-N |
| MDL Number | MFCD05669563 |
| Molecular Formula | C12H8FNO2 |
| Molecular Weight | 217.1958 |
| SMILES | FC1=CC=C(OC2=NC=C(C=O)C=C2)C=C1 |
| Synonyms | 6-(4-fluorophenoxy)pyridine-3-carbaldehyde,
6-(4-fluorophenoxy)nicotinaldehyde,
866154-07-6,
AC1MPCAK,
MLS000755699,
SCHEMBL510782,
CHEMBL1588198,
CXDXKVFZZZMJQB-UHFFFAOYSA-N,
HMS2622M04,
KS-00003O7U,
ZINC4106320,
AKOS005107871,
MCULE-3488487951,
MS-1426,
SMR000337368,
6-(4Fluoro-phenoxy)-pyridine-3-carbaldehyde,
6-(4-Fluoro-phenoxy)-pyridine-3-carbaldehyde,
ZINC04106320,
CID3382953,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.199g/mol |
| Monoisotopic Mass | 217.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number