1-(3-Chlorophenyl)-2,2,2-trifluoroethanol - CAS 81577-11-9
Catalog: |
BB036679 |
Product Name: |
1-(3-Chlorophenyl)-2,2,2-trifluoroethanol |
CAS: |
81577-11-9 |
Synonyms: |
1-(3-chlorophenyl)-2,2,2-trifluoroethanol; 1-(3-chlorophenyl)-2,2,2-trifluoroethanol |
IUPAC Name: | 1-(3-chlorophenyl)-2,2,2-trifluoroethanol |
Description: | 1-(3-Chlorophenyl)-2,2,2-trifluoroethanol (CAS# 81577-11-9) is a useful research chemical. |
Molecular Weight: | 210.58 |
Molecular Formula: | C8H6ClF3O |
Canonical SMILES: | C1=CC(=CC(=C1)Cl)C(C(F)(F)F)O |
InChI: | InChI=1S/C8H6ClF3O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4,7,13H |
InChI Key: | IFUMGCOCVZUIRR-UHFFFAOYSA-N |
LogP: | 2.93570 |
Publication Number | Title | Priority Date |
JP-2018002698-A | Method for producing alcohol containing trifluoromethyl group | 20160628 |
JP-6763747-B2 | Method for Producing Trifluoromethyl Group-Containing Alcohols | 20160628 |
JP-2016204276-A | Method for producing alcohol containing trifluoromethyl group | 20150417 |
JP-6521710-B2 | Process for producing trifluoromethyl group-containing alcohols | 20150417 |
BR-102015013221-A2 | pesticide compositions and processes related thereto | 20140609 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.005927 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.005927 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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