ethyl 8-bromo-6-fluoro-4-oxo-4H-chromene-2-carboxylate - CAS 790710-81-5
Catalog: |
BB036284 |
Product Name: |
ethyl 8-bromo-6-fluoro-4-oxo-4H-chromene-2-carboxylate |
CAS: |
790710-81-5 |
Synonyms: |
8-bromo-6-fluoro-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester; ethyl 8-bromo-6-fluoro-4-oxochromene-2-carboxylate |
IUPAC Name: | ethyl 8-bromo-6-fluoro-4-oxochromene-2-carboxylate |
Description: | ethyl 8-bromo-6-fluoro-4-oxo-4H-chromene-2-carboxylate (CAS# 790710-81-5 ) is a useful research chemical. |
Molecular Weight: | 315.094 |
Molecular Formula: | C12H8BrFO4 |
Canonical SMILES: | CCOC(=O)C1=CC(=O)C2=CC(=CC(=C2O1)Br)F |
InChI: | InChI=1S/C12H8BrFO4/c1-2-17-12(16)10-5-9(15)7-3-6(14)4-8(13)11(7)18-10/h3-5H,2H2,1H3 |
InChI Key: | NIYBSDSIFPBWGM-UHFFFAOYSA-N |
LogP: | 2.87130 |
Publication Number | Title | Priority Date |
AU-2005226605-A1 | Novel process | 20040325 |
CA-2561160-A1 | Novel process | 20040325 |
EP-1732914-A1 | Novel process | 20040325 |
JP-2007530535-A | New method | 20040325 |
KR-20060129496-A | New way | 20040325 |
Complexity: | 396 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 313.959 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 313.959 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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