| CAS Number | 98586-21-1 |
| Catalog Number | AG01F08N(AGN-PC-0W8CXX) |
| Chemical Name | 3,3'-Difluorobenzhydrol |
| IUPAC Name | bis(3-fluorophenyl)methanol |
| InChI | InChI=1S/C13H10F2O/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8,13,16H |
| InChI Key | JCMJXDJOHQCPOO-UHFFFAOYSA-N |
| MDL Number | MFCD03077396 |
| Molecular Formula | C13H10F2O |
| Molecular Weight | 220.2147 |
| SMILES | OC(C1=CC=CC(F)=C1)C2=CC=CC(F)=C2 |
| Synonyms | 3,3'-Difluorobenzhydrol,
bis(3-fluorophenyl)methanol,
bis(3-fluorophenyl]methanol,
98586-21-1,
AC1MBXQF,
SCHEMBL227352,
CTK7C1676,
JCMJXDJOHQCPOO-UHFFFAOYSA-N,
ZINC4254940,
AKOS010015781,
FS-5005,
ZINC04254940,
CID2758250,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.219g/mol |
| Monoisotopic Mass | 220.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number