| CAS Number | 150020-06-7 |
| Catalog Number | AG01AB2K(AGN-PC-02552E) |
| Chemical Name | (2,5-Difluorophenyl)(pyridin-4-yl)methanone |
| IUPAC Name | (2,5-difluorophenyl)-pyridin-4-ylmethanone |
| InChI | InChI=1S/C12H7F2NO/c13-9-1-2-11(14)10(7-9)12(16)8-3-5-15-6-4-8/h1-7H |
| InChI Key | QCICHYIROXZUQG-UHFFFAOYSA-N |
| MDL Number | MFCD11210309 |
| Molecular Formula | C12H7F2NO |
| Molecular Weight | 219.1869 |
| SMILES | O=C(C1=CC=NC=C1)C2=CC(F)=CC=C2F |
| Synonyms | 4-(2,5-difluorobenzoyl)pyridine,
150020-06-7,
4-[(2,5-difluorophenyl)carbonyl]pyridine,
AC1Q4LM6,
SCHEMBL9037143,
QCICHYIROXZUQG-UHFFFAOYSA-N,
ZINC36940293,
AKOS009337725,
MCULE-7727004691,
NE45246,
EN300-70285,
Z1258943312,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.191g/mol |
| Monoisotopic Mass | 219.05g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number