Cas no 52043-46-6 (4,7-dichloro-2-benzofuran-1(3H)-one)
52043-46-6 structure
Product Name:4,7-dichloro-2-benzofuran-1(3H)-one
CAS No:52043-46-6
MF:C8H4Cl2O2
MW:203.02216053009
CID:1578611
PubChem ID:3040338
Update Time:2025-04-21
4,7-dichloro-2-benzofuran-1(3H)-one Chemical and Physical Properties
Names and Identifiers
-
- 4,7-dichloro-2-benzofuran-1(3H)-one
- 4,7-dichloro-3H-2-benzofuran-1-one
- SCHEMBL854144
- 1(3H)-Isobenzofuranone, 4,7-dichloro-
- DTXSID80966413
- 4,7-Dichlorophthalide
- BRN 0141997
- 52043-46-6
- 0-17-00-00312 (Beilstein Handbook Reference)
-
- Inchi： 1S/C8H4Cl2O2/c9-5-1-2-6(10)7-4(5)3-12-8(7)11/h1-2H,3H2
- InChI Key： LDBXTSFDQDITDX-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C2C(=O)OCC=21)Cl
Computed Properties
- Exact Mass: 201.95892
- Monoisotopic Mass: 201.9588348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 207
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
4,7-dichloro-2-benzofuran-1(3H)-one Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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