3,4-Dibromoisobenzofuran-1(3H)-one - CAS 879627-88-0
Catalog: |
BB038702 |
Product Name: |
3,4-Dibromoisobenzofuran-1(3H)-one |
CAS: |
879627-88-0 |
Synonyms: |
3,4-dibromo-3H-isobenzofuran-1-one; 3,4-dibromo-3H-2-benzofuran-1-one |
IUPAC Name: | 3,4-dibromo-3H-2-benzofuran-1-one |
Description: | 3,4-Dibromoisobenzofuran-1(3H)-one (CAS# 879627-88-0 ) is a useful research chemical. |
Molecular Weight: | 291.92 |
Molecular Formula: | C8H4Br2O2 |
Canonical SMILES: | C1=CC2=C(C(OC2=O)Br)C(=C1)Br |
InChI: | InChI=1S/C8H4Br2O2/c9-5-3-1-2-4-6(5)7(10)12-8(4)11/h1-3,7H |
InChI Key: | ZJNZHABOJVAWLT-UHFFFAOYSA-N |
LogP: | 3.01300 |
Publication Number | Title | Priority Date |
US-2021315893-A1 | Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis | 20170706 |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.85576 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 289.8578 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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