4-Nitro-alpha-(trifluoromethyl)benzyl Alcohol - CAS 241127-76-4
Catalog: |
BB018333 |
Product Name: |
4-Nitro-alpha-(trifluoromethyl)benzyl Alcohol |
CAS: |
241127-76-4 |
Synonyms: |
2,2,2-trifluoro-1-(4-nitrophenyl)ethanol; 2,2,2-trifluoro-1-(4-nitrophenyl)ethanol |
IUPAC Name: | 2,2,2-trifluoro-1-(4-nitrophenyl)ethanol |
Description: | 4-Nitro-alpha-(trifluoromethyl)benzyl Alcohol (CAS# 241127-76-4) is a useful research chemical. |
Molecular Weight: | 221.13 |
Molecular Formula: | C8H6F3NO3 |
Canonical SMILES: | C1=CC(=CC=C1C(C(F)(F)F)O)[N+](=O)[O-] |
InChI: | InChI=1S/C8H6F3NO3/c9-8(10,11)7(13)5-1-3-6(4-2-5)12(14)15/h1-4,7,13H |
InChI Key: | UQFMTXANBPARMP-UHFFFAOYSA-N |
LogP: | 2.71370 |
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 |
US-2016251376-A1 | Tyk2 inhibitors and uses thereof | 20150227 |
US-2017305933-A1 | Tyk2 inhibitors and uses thereof | 20150227 |
WO-2016138352-A1 | Tyk2 inhibitors and uses thereof | 20150227 |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.02997754 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.02997754 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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