Cas no 1439900-45-4 (1-(4-Fluorobenzyl)cyclobutanecarboxylic acid)
1439900-45-4 structure
Product Name:1-(4-Fluorobenzyl)cyclobutanecarboxylic acid
CAS No:1439900-45-4
MF:C12H13FO2
MW:208.228827238083
CID:5747678
PubChem ID:65194964
Update Time:2024-03-01
1-(4-Fluorobenzyl)cyclobutanecarboxylic acid Chemical and Physical Properties
Names and Identifiers
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- KS-7966
- 1439900-45-4
- 1-(4-Fluorobenzyl)cyclobutanecarboxylic acid
- 1-[(4-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
- AKOS014529058
- 1-(4-Fluorobenzyl)cyclobutanecarboxylicacid
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- MDL: MFCD20882563
- Inchi: 1S/C12H13FO2/c13-10-4-2-9(3-5-10)8-12(11(14)15)6-1-7-12/h2-5H,1,6-8H2,(H,14,15)
- InChI Key: XRBNEEQKZXIPJN-UHFFFAOYSA-N
- SMILES: FC1C=CC(=CC=1)CC1(C(=O)O)CCC1
Computed Properties
- Exact Mass: 208.09
- Monoisotopic Mass: 208.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 240
- 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
- Topological Polar Surface Area: 37.3A^2
- XLogP3: 2.7
1-(4-Fluorobenzyl)cyclobutanecarboxylic acid Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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