| CAS Number | 348-84-5 |
| Catalog Number | AG007H4I(AGN-PC-0WBRVG) |
| Chemical Name | 1-(4-Chloro-3-(trifluoromethyl)phenyl)ethanol |
| IUPAC Name | 1-[4-chloro-3-(trifluoromethyl)phenyl]ethanol |
| InChI | InChI=1S/C9H8ClF3O/c1-5(14)6-2-3-8(10)7(4-6)9(11,12)13/h2-5,14H,1H3 |
| InChI Key | RMFUMJOARZCIFY-UHFFFAOYSA-N |
| MDL Number | MFCD04973768 |
| Molecular Formula | C9H8ClF3O |
| Molecular Weight | 224.6074 |
| SMILES | CC(C1=CC(C(F)(F)F)=C(Cl)C=C1)O |
| Synonyms | 348-84-5,
1-[4-Chloro-3-(trifluoromethyl)phenyl]ethan-1-ol,
1-(4-Chloro-3-(trifluoromethyl)phenyl)ethanol,
1-[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]ETHANOL,
Benzenemethanol,4-chloro-a-methyl-3-(trifluoromethyl)-,
1-(4-chloro-3-trifluoromethyl-phenyl)-ethanol,
SCHEMBL1726227,
CTK4H3204,
DTXSID80661315,
MFCD04973768,
AKOS016015671,
NE46496,
1-2 weeks,
1-[4-CHLORO-3- PHENYL]ETHAN-1-OL,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.607g/mol |
| Monoisotopic Mass | 224.022g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number