2',4'-Bis(trifluoromethyl)acetophenone - CAS 237069-82-8
Catalog: |
BB018161 |
Product Name: |
2',4'-Bis(trifluoromethyl)acetophenone |
CAS: |
237069-82-8 |
Synonyms: |
1-[2,4-bis(trifluoromethyl)phenyl]ethanone; 1-[2,4-bis(trifluoromethyl)phenyl]ethanone |
IUPAC Name: | 1-[2,4-bis(trifluoromethyl)phenyl]ethanone |
Description: | 2',4'-Bis(trifluoromethyl)acetophenone (CAS# 237069-82-8) is a useful research chemical. |
Molecular Weight: | 256.14 |
Molecular Formula: | C10H6F6O |
Canonical SMILES: | CC(=O)C1=C(C=C(C=C1)C(F)(F)F)C(F)(F)F |
InChI: | InChI=1S/C10H6F6O/c1-5(17)7-3-2-6(9(11,12)13)4-8(7)10(14,15)16/h2-4H,1H3 |
InChI Key: | MHLYNSLYUWMONA-UHFFFAOYSA-N |
Boiling Point: | 211 °C at 760 mmHg |
Density: | 1.362 g/cm3 |
MDL: | MFCD00042495 |
LogP: | 3.92680 |
Publication Number | Title | Priority Date |
US-2019367497-A1 | Atf6 inhibitors and uses thereof | 20180406 |
US-10829485-B2 | ATF6 inhibitors and uses thereof | 20180406 |
BR-112020020181-A2 | ATF6 INHIBITORS AND USES OF THE SAME | 20180406 |
CN-112313224-A | ATF6 inhibitors and uses thereof | 20180406 |
EP-3774782-A2 | Atf6 inhibitors and uses thereof | 20180406 |
Complexity: | 292 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.03228378 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.03228378 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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