Cas no 146350-85-8 (1H-Benzimidazole,2-butyl-6-fluoro-)
146350-85-8 structure
Product Name:1H-Benzimidazole,2-butyl-6-fluoro-
CAS No:146350-85-8
MF:C11H13FN2
MW:192.232725858688
CID:101237
PubChem ID:45078091
Update Time:2025-04-18
1H-Benzimidazole,2-butyl-6-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole,2-butyl-6-fluoro-
- 1H-Benzimidazole,2-butyl-5-fluoro-(9CI)
- 2-Butyl-5-fluoro-1H-benzo[d]imidazole
- 2-butyl-6-fluoro-1H-benzimidazole
- 146350-85-8
- AKOS006228355
-
- Inchi： 1S/C11H13FN2/c1-2-3-4-11-13-9-6-5-8(12)7-10(9)14-11/h5-7H,2-4H2,1H3,(H,13,14)
- InChI Key： GQRYSNCTPPYYHT-UHFFFAOYSA-N
- SMILES： FC1C=CC2=C(C=1)NC(CCCC)=N2
Computed Properties
- Exact Mass: 192.10639
- Monoisotopic Mass: 192.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 186
- 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: 3.1
- Topological Polar Surface Area: 28.7A^2
Experimental Properties
- PSA: 28.68
1H-Benzimidazole,2-butyl-6-fluoro- Related Literature
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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