Cas no 1017146-79-0 (2-(4-Fluoro-benzyl)-butyric acid)
1017146-79-0 structure
Product Name:2-(4-Fluoro-benzyl)-butyric acid
CAS No:1017146-79-0
MF:C11H13FO2
MW:196.218127012253
CID:5526386
PubChem ID:24264887
Update Time:2024-03-01
2-(4-Fluoro-benzyl)-butyric acid Chemical and Physical Properties
Names and Identifiers
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- 2-(4-Fluoro-benzyl)-butyric acid
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- Inchi： 1S/C11H13FO2/c1-2-9(11(13)14)7-8-3-5-10(12)6-4-8/h3-6,9H,2,7H2,1H3,(H,13,14)
- InChI Key： LIGMRXUABTVBFO-UHFFFAOYSA-N
- SMILES： C(O)(=O)C(CC1=CC=C(F)C=C1)CC
Computed Properties
- Exact Mass: 196.08995782g/mol
- Monoisotopic Mass: 196.08995782g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 186
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 37.3?2
2-(4-Fluoro-benzyl)-butyric acid Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Jason Wan Lab Chip, 2020,20, 4528-4538
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
1017146-79-0 (2-(4-Fluoro-benzyl)-butyric acid) Related Products
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