| CAS Number | 844683-75-6 |
| Catalog Number | AG015ET4(AGN-PC-3H45AP) |
| Chemical Name | 4-Chloro-3,4'-difluorobenzhydrol |
| IUPAC Name | (4-chloro-3-fluorophenyl)-(4-fluorophenyl)methanol |
| InChI | InChI=1S/C13H9ClF2O/c14-11-6-3-9(7-12(11)16)13(17)8-1-4-10(15)5-2-8/h1-7,13,17H |
| InChI Key | MCUPLIOWSWQUOC-UHFFFAOYSA-N |
| MDL Number | MFCD06201334 |
| Molecular Formula | C13H9ClF2O |
| Molecular Weight | 254.6598 |
| SMILES | C1(F)=C(Cl)C=CC(C(C2C=CC(F)=CC=2)O)=C1 |
| Synonyms | 4-Chloro-3,4'-difluorobenzhydrol,
(4-chloro-3-fluorophenyl)(4-fluorophenyl)methanol,
844683-75-6,
AC1MBVWE,
SCHEMBL1349754,
CTK7B9881,
MCUPLIOWSWQUOC-UHFFFAOYSA-N,
ZX-AP005204,
PC2586,
SBB101479,
AKOS013209668,
FS-6019,
ABA-6112622,
(4-chloro-3-fluorophenyl)-(4-fluorophenyl)methanol,
(4-chloro-3-fluorophenyl)(4-fluorophenyl)methan-1-ol,
ZINC04242386,
CID2757452,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.661g/mol |
| Monoisotopic Mass | 254.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number