3,5-Difluoro-4-(trifluoromethyl)benzoic Acid - CAS 261945-09-9
Catalog: |
BB019184 |
Product Name: |
3,5-Difluoro-4-(trifluoromethyl)benzoic Acid |
CAS: |
261945-09-9 |
Synonyms: |
3,5-difluoro-4-(trifluoromethyl)benzoic acid; 3,5-difluoro-4-(trifluoromethyl)benzoic acid |
IUPAC Name: | 3,5-difluoro-4-(trifluoromethyl)benzoic acid |
Description: | 3,5-Difluoro-4-(trifluoromethyl)benzoic Acid (CAS# 261945-09-9) is a useful research chemical. |
Molecular Weight: | 226.10 |
Molecular Formula: | C8H3F5O2 |
Canonical SMILES: | C1=C(C=C(C(=C1F)C(F)(F)F)F)C(=O)O |
InChI: | InChI=1S/C8H3F5O2/c9-4-1-3(7(14)15)2-5(10)6(4)8(11,12)13/h1-2H,(H,14,15) |
InChI Key: | MKESWMDKZFRERU-UHFFFAOYSA-N |
Boiling Point: | 252 °C |
Density: | 1.571 g/cm3 |
Appearance: | Solid |
MDL: | MFCD01631619 |
LogP: | 2.68180 |
Publication Number | Title | Priority Date |
WO-2021090030-A1 | Gpr52 modulator compounds | 20191108 |
CN-111725408-A | Quantum dot light-emitting diode, preparation method thereof and composite material | 20190320 |
WO-2020100959-A1 | 1,3,4-oxadiazolone compound and medicine | 20181115 |
TW-202031649-A | 1,3,4-Diazolone compound and medicine | 20181115 |
CN-113302184-A | 1,3, 4-oxadiazolinone compounds and drugs | 20181115 |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.00532014 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.00532014 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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