Cas no 389126-45-8 (1-Isobenzofurancarboxamide)
1-Isobenzofurancarboxamide structure
Product Name:1-Isobenzofurancarboxamide
CAS No:389126-45-8
MF:C9H7NO2
MW:161.157382249832
CID:298967
PubChem ID:4607557
Update Time:2025-04-19
1-Isobenzofurancarboxamide Chemical and Physical Properties
Names and Identifiers
-
- 1-Isobenzofurancarboxamide
- 2-benzofuran-1-carboxamide
- Oprea1_005065
- benzo[c]furan-1-carboxamide
- DTXSID80404820
- Isobenzofuran-1-carboxamide
- 389126-45-8
- 1-Isobenzofurancarboxamide(9CI)
- EU-0000023
- SCHEMBL649403
-
- Inchi： 1S/C9H7NO2/c10-9(11)8-7-4-2-1-3-6(7)5-12-8/h1-5H,(H2,10,11)
- InChI Key： RYGOIQLUQMADBB-UHFFFAOYSA-N
- SMILES： O1C=C2C=CC=CC2=C1C(N)=O
Computed Properties
- Exact Mass: 161.04800
- Monoisotopic Mass: 161.047678466g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- 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: 1.4
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 56.23000
- LogP: 2.23200
1-Isobenzofurancarboxamide Related Literature
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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