Cas no 61152-02-1 (4-Oxazolecarboxylic acid, 2-(3-fluorophenyl)-5-methyl-)
61152-02-1 structure
Product Name:4-Oxazolecarboxylic acid, 2-(3-fluorophenyl)-5-methyl-
CAS No:61152-02-1
MF:C11H8FNO3
MW:221.184526443481
CID:490434
PubChem ID:12282199
Update Time:2025-04-19
4-Oxazolecarboxylic acid, 2-(3-fluorophenyl)-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Oxazolecarboxylic acid, 2-(3-fluorophenyl)-5-methyl-
- 2-(3-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
- 2-(3-Fluorophenyl)-5-methyloxazole-4-carboxylic acid
- DTXSID50484073
- MFCD07379330
- SY325715
- 61152-02-1
- AKOS011515507
-
- Inchi： 1S/C11H8FNO3/c1-6-9(11(14)15)13-10(16-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,14,15)
- InChI Key： ZXTWCHFKLOJCKT-UHFFFAOYSA-N
- SMILES： FC1=CC=CC(=C1)C1=NC(C(=O)O)=C(C)O1
Computed Properties
- Exact Mass: 221.04884
- Monoisotopic Mass: 221.04882128g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 274
- 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: 2.4
- Topological Polar Surface Area: 63.3?2
Experimental Properties
- PSA: 63.33
4-Oxazolecarboxylic acid, 2-(3-fluorophenyl)-5-methyl- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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