Ethyl 8-fluoro-4H-[1]-benzopyrano[4,3-b]thiophene-2-carboxylate - CAS 105799-70-0
Catalog: |
BB001719 |
Product Name: |
Ethyl 8-fluoro-4H-[1]-benzopyrano[4,3-b]thiophene-2-carboxylate |
CAS: |
105799-70-0 |
Synonyms: |
ethyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate |
IUPAC Name: | ethyl 8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylate |
Description: | Ethyl 8-fluoro-4H-[1]-benzopyrano[4,3-b]thiophene-2-carboxylate (CAS# 105799-70-0 ) is a useful research chemical. |
Molecular Weight: | 278.30 |
Molecular Formula: | C14H11FO3S |
Canonical SMILES: | CCOC(=O)C1=CC2=C(S1)C3=C(C=CC(=C3)F)OC2 |
InChI: | InChI=1S/C14H11FO3S/c1-2-17-14(16)12-5-8-7-18-11-4-3-9(15)6-10(11)13(8)19-12/h3-6H,2,7H2,1H3 |
InChI Key: | RJJIHFVEBLDZCR-UHFFFAOYSA-N |
Boiling Point: | 444.6 °C at 760 mmHg |
Melting Point: | 106-110 °C(lit.) |
Purity: | 95 % |
Density: | 1.356 g/cm3 |
MDL: | MFCD03070538 |
LogP: | 3.62330 |
Publication Number | Title | Priority Date |
EP-2714675-B1 | 4h-thieno[3,2-c]chromene-based inhibitors of notum pectinacetylesterase and methods of their use | 20110527 |
AU-2009231885-A1 | Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use | 20080331 |
AU-2009231885-B2 | Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use | 20080331 |
CA-2719032-A1 | Benzopyran and benzoxepin pi3k inhibitor compounds and methods of use | 20080331 |
CA-2719032-C | Benzopyran and benzoxepin pi3k inhibitor compounds and methods of use | 20080331 |
Complexity: | 352 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.04129354 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.04129354 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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