Cas no 227954-90-7 (5-Isobenzofurancarbonylchloride, 1,3-dihydro-1-oxo-)
227954-90-7 structure
Product Name:5-Isobenzofurancarbonylchloride, 1,3-dihydro-1-oxo-
CAS No:227954-90-7
MF:C9H5ClO3
MW:196.587201833725
CID:245028
PubChem ID:9815555
Update Time:2025-04-19
5-Isobenzofurancarbonylchloride, 1,3-dihydro-1-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 5-Isobenzofurancarbonylchloride, 1,3-dihydro-1-oxo-
- (1-oxo-1,3-dihydroisobenzofuran-5-yl)carbonyl chloride
- 1-oxo-3H-2-benzofuran-5-carbonyl chloride
- 1,3-DIHYDRO-1-OXO-5-ISOBENZOFURANCARBONYL CHLORIDE
- 1-oxo-phthalan-5-carbonyl chloride
- 1-Oxo-phthalan-5-carbonylchlorid
- 5-chlorocarbonylphthalid
- 5-Chlorocarbonylphthalide
- 5-Isobenzofurancarbonylchloride,1,3-dihydro-1-oxo
- 227954-90-7
- 1-oxo-1,3-dihydro-2-benzofuran-5-carbonyl chloride
- 1-Oxo-1,3-dihydroisobenzofuran-5-carbonyl chloride
- DTXSID00431158
- SCHEMBL3038326
- SSQVKKGZFIVXEX-UHFFFAOYSA-N
-
- Inchi： 1S/C9H5ClO3/c10-8(11)5-1-2-7-6(3-5)4-13-9(7)12/h1-3H,4H2
- InChI Key： SSQVKKGZFIVXEX-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC2C(=O)OCC=2C=1)=O
Computed Properties
- Exact Mass: 195.99300
- Monoisotopic Mass: 195.9927217g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 251
- 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: 1.3
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37000
- LogP: 1.73600
5-Isobenzofurancarbonylchloride, 1,3-dihydro-1-oxo- Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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