| CAS Number | 1627894-72-7 |
| Catalog Number | AG01EIMW |
| Chemical Name | methyl 2-(difluoromethyl)-1,3-oxazole-4-carboxylate |
| IUPAC Name | methyl 2-(difluoromethyl)-1,3-oxazole-4-carboxylate |
| InChI | InChI=1S/C6H5F2NO3/c1-11-6(10)3-2-12-5(9-3)4(7)8/h2,4H,1H3 |
| InChI Key | OOUMYYCQUBXUDD-UHFFFAOYSA-N |
| MDL Number | MFCD31667778 |
| Molecular Formula | C6H5F2NO3 |
| Molecular Weight | 177.1056 |
| SMILES | COC(C1N=C(C(F)F)OC=1)=O |
| Synonyms | SCHEMBL16011587,
OOUMYYCQUBXUDD-UHFFFAOYSA-N,
methyl 2-(difluoromethyl)oxazole-4-carboxylate,
methyl 2-(difluoromethyl)-1,3-oxazole-4-carboxylate,
1627894-72-7,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.107g/mol |
| Monoisotopic Mass | 177.024g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number