Cas no 139774-25-7 (1H-Indole-2-carboxylic acid, 1-(4-fluorophenyl)-)
139774-25-7 structure
Product Name:1H-Indole-2-carboxylic acid, 1-(4-fluorophenyl)-
CAS No:139774-25-7
MF:C15H10FNO2
MW:255.243807315826
CID:1281041
PubChem ID:10400115
Update Time:2025-04-20
1H-Indole-2-carboxylic acid, 1-(4-fluorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-2-carboxylic acid, 1-(4-fluorophenyl)-
- 4-fluorophenyl-1H-indole-2-carboxylic acid
- MVKWWTKHXXLXSM-UHFFFAOYSA-N
- 139774-25-7
- 1-(4-fluorophenyl)indole-2-carboxylic Acid
- SCHEMBL9149430
- 2-carboxy-1-(4-fluorophenyl)-1H-indole
- DB-349248
-
- Inchi： 1S/C15H10FNO2/c16-11-5-7-12(8-6-11)17-13-4-2-1-3-10(13)9-14(17)15(18)19/h1-9H,(H,18,19)
- InChI Key： MVKWWTKHXXLXSM-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1)N1C(C(=O)O)=CC2C=CC=CC1=2
Computed Properties
- Exact Mass: 255.0696
- Monoisotopic Mass: 255.06955672g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 341
- 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: 3.8
- Topological Polar Surface Area: 42.2?2
Experimental Properties
- PSA: 42.23
1H-Indole-2-carboxylic acid, 1-(4-fluorophenyl)- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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