| CAS Number | 1281380-88-8 |
| Catalog Number | AG01C1MG |
| Chemical Name | 3,5-Difluoro-4-(morpholin-4-yl)benzoic acid |
| IUPAC Name | 3,5-difluoro-4-morpholin-4-ylbenzoic acid |
| InChI | InChI=1S/C11H11F2NO3/c12-8-5-7(11(15)16)6-9(13)10(8)14-1-3-17-4-2-14/h5-6H,1-4H2,(H,15,16) |
| InChI Key | NIZVJSWDUKQOJO-UHFFFAOYSA-N |
| MDL Number | MFCD18058914 |
| Molecular Formula | C11H11F2NO3 |
| Molecular Weight | 243.2067 |
| SMILES | OC(C1=CC(F)=C(N2CCOCC2)C(F)=C1)=O |
| Synonyms | 3,5-difluoro-4-(morpholin-4-yl)benzoic acid,
1281380-88-8,
ZINC62721090,
AKOS012378011,
Z1080522682,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.21g/mol |
| Monoisotopic Mass | 243.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number