Cas no 58777-70-1 (2-Thiophenecarbonyl fluoride, 5-bromo- (9CI))
58777-70-1 structure
Product Name:2-Thiophenecarbonyl fluoride, 5-bromo- (9CI)
CAS No:58777-70-1
MF:C5H2BrFOS
MW:209.036182880402
CID:949015
PubChem ID:45081962
Update Time:2025-04-19
2-Thiophenecarbonyl fluoride, 5-bromo- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarbonyl fluoride, 5-bromo- (9CI)
- 5-bromothiophene-2-carbonyl fluoride
- DB-282676
- 58777-70-1
- DTXSID40664988
- 2-THIOPHENECARBONYL FLUORIDE, 5-BROMO-
-
- Inchi: 1S/C5H2BrFOS/c6-4-2-1-3(9-4)5(7)8/h1-2H
- InChI Key: NDXRGAZXDRGFBJ-UHFFFAOYSA-N
- SMILES: BrC1=CC=C(C(=O)F)S1
Computed Properties
- Exact Mass: 207.89938g/mol
- Monoisotopic Mass: 207.89938g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 130
- 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: 2.9
- Topological Polar Surface Area: 45.3?2
2-Thiophenecarbonyl fluoride, 5-bromo- (9CI) Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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