4-Chloro-3-(trifluoromethoxy)benzyl Alcohol - CAS 886500-89-6
Catalog: |
BB039111 |
Product Name: |
4-Chloro-3-(trifluoromethoxy)benzyl Alcohol |
CAS: |
886500-89-6 |
Synonyms: |
[4-chloro-3-(trifluoromethoxy)phenyl]methanol; [4-chloro-3-(trifluoromethoxy)phenyl]methanol |
IUPAC Name: | [4-chloro-3-(trifluoromethoxy)phenyl]methanol |
Description: | 4-Chloro-3-(trifluoromethoxy)benzyl Alcohol (CAS# 886500-89-6) is a useful research chemical. |
Molecular Weight: | 226.58 |
Molecular Formula: | C8H6ClF3O2 |
Canonical SMILES: | C1=CC(=C(C=C1CO)OC(F)(F)F)Cl |
InChI: | InChI=1S/C8H6ClF3O2/c9-6-2-1-5(4-13)3-7(6)14-8(10,11)12/h1-3,13H,4H2 |
InChI Key: | AQFVCOVRKUVQTA-UHFFFAOYSA-N |
MDL: | MFCD06660248 |
LogP: | 2.73090 |
Publication Number | Title | Priority Date |
EP-2900645-A1 | 3-phenylisoxazolin derivatives with herbicidal action | 20120925 |
AU-2007293028-A1 | Heterocyclic GPR40 modulators | 20060907 |
AU-2007293028-B2 | Heterocyclic GPR40 modulators | 20060907 |
CA-2662305-C | Heterocyclic gpr40 modulators | 20060907 |
EP-2064193-A1 | Heterocyclic gpr40 modulators | 20060907 |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.0008416 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.0008416 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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