4-(Chloromethyl)-6,7-dimethoxy-3H-1-isobenzofuranone - CAS 6518-91-8
Catalog: |
BB032656 |
Product Name: |
4-(Chloromethyl)-6,7-dimethoxy-3H-1-isobenzofuranone |
CAS: |
6518-91-8 |
Synonyms: |
4-(chloromethyl)-6,7-dimethoxy-3H-isobenzofuran-1-one; 4-(chloromethyl)-6,7-dimethoxy-3H-2-benzofuran-1-one |
IUPAC Name: | 4-(chloromethyl)-6,7-dimethoxy-3H-2-benzofuran-1-one |
Description: | Meconin derivative. Used in the preparation of Luminol (L474450) analogs. |
Molecular Weight: | 242.66 |
Molecular Formula: | C11H11ClO4 |
Canonical SMILES: | COC1=C(C2=C(COC2=O)C(=C1)CCl)OC |
InChI: | InChI=1S/C11H11ClO4/c1-14-8-3-6(4-12)7-5-16-11(13)9(7)10(8)15-2/h3H,4-5H2,1-2H3 |
InChI Key: | AHWVGGSUPOUZPQ-UHFFFAOYSA-N |
LogP: | 2.11300 |
Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.0345865 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.0345865 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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