Cas no 479079-33-9 (4-(2-Chloro-4-fluorophenyl)benzoic acid)
479079-33-9 structure
Product Name:4-(2-Chloro-4-fluorophenyl)benzoic acid
CAS No:479079-33-9
MF:C13H8ClFO2
MW:250.652826309204
CID:931566
PubChem ID:21937253
Update Time:2025-04-19
4-(2-Chloro-4-fluorophenyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-(2-Chloro-4-fluorophenyl)benzoic acid
- AG-F-63099
- CTK4J0447
- KB-237476
- SureCN3758566
- 479079-33-9
- SCHEMBL3758566
- DTXSID10620374
- 2'-chloro-4'-fluoro[1,1'-biphenyl]-4-carboxylic acid
-
- Inchi： 1S/C13H8ClFO2/c14-12-7-10(15)5-6-11(12)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)
- InChI Key： KTEKPJWBYQYJLW-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1C1C=CC(C(=O)O)=CC=1)F
Computed Properties
- Exact Mass: 250.02000
- Monoisotopic Mass: 250.0196853g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 277
- 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: 4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.30000
- LogP: 3.84430
4-(2-Chloro-4-fluorophenyl)benzoic 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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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