Cas no 160561-79-5 (3,4-difluoro-1H-Pyrrole-2-carboxylic acid methyl ester)
160561-79-5 structure
Product Name:3,4-difluoro-1H-Pyrrole-2-carboxylic acid methyl ester
CAS No:160561-79-5
MF:C6H5F2NO2
MW:161.106208562851
CID:109529
PubChem ID:11744936
Update Time:2025-04-18
3,4-difluoro-1H-Pyrrole-2-carboxylic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3,4-difluoro-1H-Pyrrole-2-carboxylic acid methyl ester
- 1H-Pyrrole-2-carboxylicacid, 3,4-difluoro-, methyl ester
- 1H-Pyrrole-2-carboxylicacid,3,4-difluoro-,methylester(9CI)
- Methyl 3,4-difluoro-1H-pyrrole-2-carboxylate
- AKOS006309939
- Methyl3,4-difluoro-1H-pyrrole-2-carboxylate
- 160561-79-5
- 1H-Pyrrole-2-carboxylic acid, 3,4-difluoro-, methyl ester
-
- Inchi： 1S/C6H5F2NO2/c1-11-6(10)5-4(8)3(7)2-9-5/h2,9H,1H3
- InChI Key： REJLNORBZSRDLP-UHFFFAOYSA-N
- SMILES： FC1C(=CNC=1C(=O)OC)F
Computed Properties
- Exact Mass: 161.02885
- Monoisotopic Mass: 161.02883473g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 165
- 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: 1.1
- Topological Polar Surface Area: 42.1?2
Experimental Properties
- PSA: 42.09
3,4-difluoro-1H-Pyrrole-2-carboxylic acid methyl ester Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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