3-Chloro-4-(trifluoromethoxy)benzyl Alcohol - CAS 56456-48-5
Catalog: |
BB029368 |
Product Name: |
3-Chloro-4-(trifluoromethoxy)benzyl Alcohol |
CAS: |
56456-48-5 |
Synonyms: |
[3-chloro-4-(trifluoromethoxy)phenyl]methanol; [3-chloro-4-(trifluoromethoxy)phenyl]methanol |
IUPAC Name: | [3-chloro-4-(trifluoromethoxy)phenyl]methanol |
Description: | 3-Chloro-4-(trifluoromethoxy)benzyl Alcohol (CAS# 56456-48-5) is a useful research chemical. |
Molecular Weight: | 226.58 |
Molecular Formula: | C8H6ClF3O2 |
Canonical SMILES: | C1=CC(=C(C=C1CO)Cl)OC(F)(F)F |
InChI: | InChI=1S/C8H6ClF3O2/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-3,13H,4H2 |
InChI Key: | KPYSDIQXFHKDPU-UHFFFAOYSA-N |
Boiling Point: | 236.4 ℃ at 760 mmHg |
Density: | 1.456 g/cm3 |
MDL: | MFCD01631559 |
LogP: | 2.73090 |
Publication Number | Title | Priority Date |
AU-2015238541-B2 | Condensed [1,4]diazepine compounds as autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors | 20140326 |
EA-032357-B1 | CONDENSED [1,4] DIAZEPIN COMPOUNDS AS AUTOTAXIN (ATX) PRODUCT INHIBITORS AND LIZOPHOSPHATIDYLIC ACID (LPA) INHIBITORS | 20140326 |
EP-3122751-B1 | Condensed [1,4]diazepine compounds as autotaxin (atx) and lysophosphatidic acid (lpa) production inhibitors | 20140326 |
US-10669285-B2 | Condensed [1,4] diazepine compounds as autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors | 20140326 |
US-2017008913-A1 | Condensed [1,4] diazepine compounds as autotaxin (atx) and lysophosphatidic acid (lpa) production inhibitors | 20140326 |
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: | 2.7 |
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