| CAS Number | 129973-51-9 |
| Catalog Number | AG000TTP(AGN-PC-0PJ3VV) |
| Chemical Name | Benzeneethanol, β,β-difluoro- |
| EC Number | 603-377-5 |
| IUPAC Name | 2,2-difluoro-2-phenylethanol |
| InChI | InChI=1S/C8H8F2O/c9-8(10,6-11)7-4-2-1-3-5-7/h1-5,11H,6H2 |
| InChI Key | XKGODUKBPIRBOF-UHFFFAOYSA-N |
| MDL Number | MFCD12031804 |
| Molecular Formula | C8H8F2O |
| Molecular Weight | 158.1453 |
| SMILES | OCC(F)(F)C1=CC=CC=C1 |
| Synonyms | 2,2-difluoro-2-phenylethanol,
129973-51-9,
2,2-difluoro-2-phenyl-ethanol,
2,2-difluoro-2-phenylethan-1-ol,
Benzeneethanol, beta,beta-difluoro-,
Benzeneethanol, b,b-difluoro-,
SCHEMBL507483,
XKGODUKBPIRBOF-UHFFFAOYSA-N,
beta,beta-Difluorophenethyl alcohol,
MFCD12031804,
ZINC33961450,
CS-0069332,
CID9793891,
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| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.148g/mol |
| Monoisotopic Mass | 158.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number