6-(Bromomethyl)isobenzofuran-1(3H)-one - CAS 177166-15-3
Catalog: |
BB071020 |
Product Name: |
6-(Bromomethyl)isobenzofuran-1(3H)-one |
CAS: |
177166-15-3 |
Synonyms: |
6-(Bromomethyl)isobenzofuran-1(3H)-one; 6-(bromomethyl)-3H-2-benzofuran-1-one; 6-Brommethylphthalid; 6-bromomethylphthalide; 6-(bromomethyl)-1(3H)-isobenzofuranone |
IUPAC Name: | 6-(bromomethyl)-3H-2-benzofuran-1-one |
Molecular Weight: | 227.05 |
Molecular Formula: | C9H7BrO2 |
Canonical SMILES: | C1C2=C(C=C(C=C2)CBr)C(=O)O1 |
InChI: | InChI=1S/C9H7BrO2/c10-4-6-1-2-7-5-12-9(11)8(7)3-6/h1-3H,4-5H2 |
InChI Key: | VHRAMLJMWLDMGS-UHFFFAOYSA-N |
Complexity: | 193 |
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: | 1 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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