-
Name
Ethyl 2-oxo-2-[3-(trifluoromethyl)anilino]acetate
- EINECS
- CAS No. 17738-86-2
- Article Data9
- CAS DataBase
- Density 1.356 g/cm3
- Solubility
- Melting Point 121℃ (ethyl acetate )
- Formula C11H10F3NO3
- Boiling Point
- Molecular Weight 261.201
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms ETHYL 2-OXO-2-[3-(TRIFLUOROMETHYL)ANILINO]ACETATE;5-hydroxyisophthalamide;ethyl {[3-(trifluoroMethyl)phenyl]carbaMoyl}forMate
- PSA 55.40000
- LogP 2.28000
Ethyl 2-oxo-2-[3-(trifluoromethyl)anilino]acetate Specification
The Ethyl 2-oxo-2-[3-(trifluoromethyl)anilino]acetate is an organic compound with the formula C11H10F3NO3. The systematic name of this chemical is ethyl oxo{[3-(trifluoromethyl)phenyl]amino}acetate. With the CAS registry number 17738-86-2, it is also named as acetic acid, 2-oxo-2-[[3-(trifluoromethyl)phenyl]amino]-, ethyl ester. In addition, the molecular weight is 261.2.
The other characteristics of Ethyl 2-oxo-2-[3-(trifluoromethyl)anilino]acetate can be summarized as: (1)ACD/LogP: 2.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.83; (4)ACD/LogD (pH 7.4): 2.83; (5)ACD/BCF (pH 5.5): 83.58; (6)ACD/BCF (pH 7.4): 83.54; (7)ACD/KOC (pH 5.5): 826.9; (8)ACD/KOC (pH 7.4): 826.53; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 56.54 cm3; (15)Molar Volume: 192.5 cm3; (16)Polarizability: 22.41×10-24 cm3; (17)Surface Tension: 36.2 dyne/cm; (18)Density: 1.356 g/cm3.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(Nc1cc(ccc1)C(F)(F)F)C(=O)OCC
2. InChI:InChI=1/C11H10F3NO3/c1-2-18-10(17)9(16)15-8-5-3-4-7(6-8)11(12,13)14/h3-6H,2H2,1H3,(H,15,16)
3. InChIKey:UKPJCBWVGQNZSF-UHFFFAOYAM
4. Std. InChI:InChI=1S/C11H10F3NO3/c1-2-18-10(17)9(16)15-8-5-3-4-7(6-8)11(12,13)14/h3-6H,2H2,1H3,(H,15,16)
5. Std. InChIKey:UKPJCBWVGQNZSF-UHFFFAOYSA-N
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