7-(Trifluoromethyl)chroman-4-one - CAS 111141-02-7
Catalog: |
BB002723 |
Product Name: |
7-(Trifluoromethyl)chroman-4-one |
CAS: |
111141-02-7 |
Synonyms: |
7-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-4-one; 7-(trifluoromethyl)-2,3-dihydrochromen-4-one |
IUPAC Name: | 7-(trifluoromethyl)-2,3-dihydrochromen-4-one |
Description: | 7-(Trifluoromethyl)chroman-4-one (CAS# 111141-02-7 ) is a useful research chemical. |
Molecular Weight: | 216.16 |
Molecular Formula: | C10H7F3O2 |
Canonical SMILES: | C1COC2=C(C1=O)C=CC(=C2)C(F)(F)F |
InChI: | InChI=1S/C10H7F3O2/c11-10(12,13)6-1-2-7-8(14)3-4-15-9(7)5-6/h1-2,5H,3-4H2 |
InChI Key: | BDGGJAUEQDZWRC-UHFFFAOYSA-N |
Boiling Point: | 282.3 ℃ at 760 mmHg |
Density: | 1.374 g/cm3 |
LogP: | 2.67060 |
Publication Number | Title | Priority Date |
KR-20210039968-A | Bicyclic compound and use thereof | 20191002 |
US-2021101892-A1 | Bicyclic compound and use thereof | 20191002 |
WO-2021066578-A1 | Bicyclic compound and use thereof | 20191002 |
US-11111237-B2 | Bicyclic compound and use thereof | 20191002 |
US-2013158067-A1 | TRPV1 Antagonists | 20111219 |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.03981395 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.03981395 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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