Cas no 2367-04-6 ( )
structure
Product Name:
CAS No:2367-04-6
MF:C13H9ClFNO2
MW:265.667465925217
CID:912728
PubChem ID:289734
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4-Chlor-2-(4-fluor-anilino)-benzoesaeure; 5-chloro-4'-fluoro-diphenylamine-2-carboxylic acid; 4-chloro-2-[(4-fluorophenyl)amino]benzoic acid; AR-1G1535; CTK1A7637; AC1L6CCY; AG-J-46106; NSC151947; 4-chloro-2-(4-fluoro-anilino)-benzoic acid; AC1Q5TFT;
- NSC-151947
- 4-chloro-2-[(4-fluorophenyl)amino]benzoic acid
- 2367-04-6
- NSC151947
- DTXSID80302579
-
-
- Inchi： 1S/C13H9ClFNO2/c14-8-1-6-11(13(17)18)12(7-8)16-10-4-2-9(15)3-5-10/h1-7,16H,(H,17,18)
- InChI Key： VQECJUGGSQMKIK-UHFFFAOYSA-N
- SMILES： ClC1C=CC(C(=O)O)=C(C=1)NC1C=CC(=CC=1)F
Computed Properties
- Exact Mass: 265.03067
- Monoisotopic Mass: 265.0305844g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 295
- 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: 5.7
- Topological Polar Surface Area: 49.3?2
Experimental Properties
- PSA: 49.33
Related Literature
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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