| CAS Number | 138716-46-8 |
| Catalog Number | AG009AW7(AGN-PC-0KKWCP) |
| Chemical Name | 5-(2,4-Difluorophenyl)isoxazole |
| IUPAC Name | 5-(2,4-difluorophenyl)-1,2-oxazole |
| InChI | InChI=1S/C9H5F2NO/c10-6-1-2-7(8(11)5-6)9-3-4-12-13-9/h1-5H |
| InChI Key | AWWPOAOBEPJBQE-UHFFFAOYSA-N |
| MDL Number | MFCD02183538 |
| Molecular Formula | C9H5F2NO |
| Molecular Weight | 181.1389 |
| SMILES | FC2(=C(C=1(ON=CC=1))C=CC(=C2)F) |
| Synonyms | 5-(2,4-Difluorophenyl)isoxazole,
138716-46-8,
5-(2,4-difluorophenyl)-1,2-oxazole,
AC1MCOTN,
SCHEMBL9680952,
CTK7B9050,
KS-00003QXN,
ZINC2578080,
4088AD,
MFCD02183538,
SBB089758,
AKOS006230395,
PS-6963,
TR-039992,
C9H5F2NO,
ZINC02578080,
CID2774710,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.142g/mol |
| Monoisotopic Mass | 181.034g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number