2-Oxo-2-[[4-(trifluoromethyl)phenyl]amino]acetic Acid Ethyl Ester - CAS 69066-00-8
Catalog: |
BB076464 |
Product Name: |
2-Oxo-2-[[4-(trifluoromethyl)phenyl]amino]acetic Acid Ethyl Ester |
CAS: |
69066-00-8 |
Synonyms: |
ethyl 2-oxo-2-[4-(trifluoromethyl)anilino]acetate; ethyl {[4-(trifluoromethyl)phenyl]carbamoyl}formate; 2-Oxo-2-[[4-(trifluoromethyl)phenyl]amino]acetic Acid Ethyl Ester |
IUPAC Name: | ethyl 2-oxo-2-[4-(trifluoromethyl)anilino]acetate |
Description: | 2-Oxo-2-[[4-(trifluoromethyl)phenyl]amino]acetic Acid Ethyl Ester, is an intermediate for the synthesis of 2-Oxo-2-[[4-(trifluoromethyl)phenyl]amino]acetic Acid (O865080). It can also be used for the preparation of Oxanilates derivatives, used as chemical hybridizing agents for Wheat (Triticum aestivum L.). |
Molecular Weight: | 261.2 |
Molecular Formula: | C11H10F3NO3 |
Canonical SMILES: | CCOC(=O)C(=O)NC1=CC=C(C=C1)C(F)(F)F |
InChI: | InChI=1S/C11H10F3NO3/c1-2-18-10(17)9(16)15-8-5-3-7(4-6-8)11(12,13)14/h3-6H,2H2,1H3,(H,15,16) |
InChI Key: | NTYUCSLOJVMSLP-UHFFFAOYSA-N |
References: | Chakraborty, K., et al. J. Agric. Food Chem., 51, 992 (2003); Minisci, F., et al. J. Org. Chem., 60, 5430 (1995). |
Complexity: | 309 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.06127767 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.06127767 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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