5-Bromo-6-methylphthalide - CAS 1374574-10-3
Catalog: |
BB008572 |
Product Name: |
5-Bromo-6-methylphthalide |
CAS: |
1374574-10-3 |
Synonyms: |
5-bromo-6-methyl-3H-isobenzofuran-1-one; 5-bromo-6-methyl-3H-2-benzofuran-1-one |
IUPAC Name: | 5-bromo-6-methyl-3H-2-benzofuran-1-one |
Description: | 5-Bromo-6-methylphthalide (CAS# 1374574-10-3 ) is a useful research chemical. |
Molecular Weight: | 227.05 |
Molecular Formula: | C9H7BrO2 |
Canonical SMILES: | CC1=C(C=C2COC(=O)C2=C1)Br |
InChI: | InChI=1S/C9H7BrO2/c1-5-2-7-6(3-8(5)10)4-12-9(7)11/h2-3H,4H2,1H3 |
InChI Key: | IRUDYCTYMRMENS-UHFFFAOYSA-N |
LogP: | 2.42790 |
Publication Number | Title | Priority Date |
EP-2632464-A1 | Inhibitors of the renal outer medullary potassium channel | 20101029 |
EP-2632464-B1 | Inhibitors of the renal outer medullary potassium channel | 20101029 |
US-2013217680-A1 | Inhibitors of the Renal Outer Medullary Potassium Channel | 20101029 |
US-9056859-B2 | Inhibitors of the renal outer medullary potassium channel | 20101029 |
WO-2012058134-A1 | Inhibitors of the renal outer medullary potassium channel | 20101029 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.96294 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.96294 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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