Cas no 153967-93-2 (5-Isobenzofurancarbonylchloride, 1,3-dihydro-)
153967-93-2 structure
Product Name:5-Isobenzofurancarbonylchloride, 1,3-dihydro-
CAS No:153967-93-2
MF:C9H7ClO2
MW:182.60368180275
CID:106407
PubChem ID:45081521
Update Time:2025-04-18
5-Isobenzofurancarbonylchloride, 1,3-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 5-Isobenzofurancarbonylchloride, 1,3-dihydro-
- 1,3-dihydro-2-benzofuran-5-carbonyl chloride
- 5-Isobenzofurancarbonyl chloride, 1,3-dihydro- (9CI)
- 1,3-Dihydroisobenzofuran-5-carbonyl chloride
- 153967-93-2
- DTXSID60664662
- SCHEMBL2117814
- AKOS013054566
-
- Inchi: 1S/C9H7ClO2/c10-9(11)6-1-2-7-4-12-5-8(7)3-6/h1-3H,4-5H2
- InChI Key: WRKOBMBGBKOFLQ-UHFFFAOYSA-N
- SMILES: ClC(C1C=CC2COCC=2C=1)=O
Computed Properties
- Exact Mass: 182.01351
- Monoisotopic Mass: 182.0134572g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 193
- 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: 1.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
5-Isobenzofurancarbonylchloride, 1,3-dihydro- Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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