4-Chlorophthalide - CAS 52010-22-7
Catalog: |
BB027681 |
Product Name: |
4-Chlorophthalide |
CAS: |
52010-22-7 |
Synonyms: |
4-chloro-3H-isobenzofuran-1-one; 4-chloro-3H-2-benzofuran-1-one |
IUPAC Name: | 4-chloro-3H-2-benzofuran-1-one |
Description: | 4-Chlorophthalide (CAS# 52010-22-7) is a useful research chemical. |
Molecular Weight: | 168.58 |
Molecular Formula: | C8H5ClO2 |
Canonical SMILES: | C1C2=C(C=CC=C2Cl)C(=O)O1 |
InChI: | InChI=1S/C8H5ClO2/c9-7-3-1-2-5-6(7)4-11-8(5)10/h1-3H,4H2 |
InChI Key: | PLBDNGRGWFOSCH-UHFFFAOYSA-N |
Boiling Point: | 360.6 °C at 760 mmHg |
Density: | 1.428 g/cm3 |
LogP: | 2.01040 |
Publication Number | Title | Priority Date |
BR-112019011121-A2 | benzenesulfonamide compounds and their use as therapeutic agents | 20161209 |
EP-3551626-A1 | Benzenesulfonamide compounds and their use as therapeutic agents | 20161209 |
JP-2019536810-A | Benzenesulfonamide compounds and their use as therapeutic agents | 20161209 |
KR-20190086772-A | Benzenesulfonamide compounds and their use as therapeutic agents | 20161209 |
US-2018162868-A1 | Benzenesulfonamide compounds and their use as therapeutic agents | 20161209 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.9978071 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.9978071 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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