Cas no 88075-95-0 (1H-Pyrrole-3-carboxaldehyde, 1-(phenylsulfonyl)-)
88075-95-0 structure
Product Name:1H-Pyrrole-3-carboxaldehyde, 1-(phenylsulfonyl)-
CAS No:88075-95-0
MF:C11H9NO3S
MW:235.259061574936
CID:646030
PubChem ID:11064380
Update Time:2025-04-19
1H-Pyrrole-3-carboxaldehyde, 1-(phenylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-3-carboxaldehyde, 1-(phenylsulfonyl)-
- 1-(benzenesulfonyl)pyrrole-3-carbaldehyde
- VWQLLLJGYNDBTE-UHFFFAOYSA-N
- 88075-95-0
- SCHEMBL6589513
- DTXSID90453920
- 1-phenylsulfonylpyrrole-3-carbaldehyde
- 1-(benzenesulfonyl)-1H-pyrrole-3-carbaldehyde
- SB63585
- 1-(phenylsulfonyl)-1H-pyrrole-3-carbaldehyde
-
- Inchi： 1S/C11H9NO3S/c13-9-10-6-7-12(8-10)16(14,15)11-4-2-1-3-5-11/h1-9H
- InChI Key： VWQLLLJGYNDBTE-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(N1C=CC(C=O)=C1)(=O)=O
Computed Properties
- Exact Mass: 235.03031432g/mol
- Monoisotopic Mass: 235.03031432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 341
- 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: 64.5?2
1H-Pyrrole-3-carboxaldehyde, 1-(phenylsulfonyl)- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
88075-95-0 (1H-Pyrrole-3-carboxaldehyde, 1-(phenylsulfonyl)-) Related Products
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