| CAS Number | 1270583-11-3 |
| Catalog Number | AG01AION(AGN-PC-0WO5IJ) |
| Chemical Name | 6,8-difluoro-3,4-dihydro-2H-1-benzopyran-4-ol |
| IUPAC Name | 6,8-difluoro-3,4-dihydro-2H-chromen-4-ol |
| InChI | InChI=1S/C9H8F2O2/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5/h3-4,8,12H,1-2H2 |
| InChI Key | YIYJSJWWXNXVNN-UHFFFAOYSA-N |
| MDL Number | MFCD15478837 |
| Molecular Formula | C9H8F2O2 |
| Molecular Weight | 186.1554 |
| SMILES | OC1C2=C(C(=CC(=C2)F)F)OCC1 |
| Synonyms | 6,8-difluoro-3,4-dihydro-2H-1-benzopyran-4-ol,
1270583-11-3,
1270301-86-4,
AKOS013513516,
NE54226,
(4R)-6,8-difluoro-3,4-dihydro-2H-1-benzopyran-4-ol,
(4S)-6,8-difluoro-3,4-dihydro-2H-1-benzopyran-4-ol,
1270293-73-6,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.158g/mol |
| Monoisotopic Mass | 186.049g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number