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Basic Information
CAS No.: 128403-22-5
Name: 2'-Nitro-4'-trifluoroMethylacetophenone
Article Data: 4
Molecular Structure:
Molecular Structure of 128403-22-5 (2'-Nitro-4'-trifluoroMethylacetophenone)
Formula: C9H6F3NO3
Molecular Weight: 233.147
Synonyms: 1-[2-Nitro-4-(trifluoromethyl)phenyl]ethanone;
Density: 1.401 g/cm3
Boiling Point: 290.8 °C at 760 mmHg
Flash Point: 129.7 °C
PSA: 62.89000
LogP: 3.33940
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Specification

The Ethanone, 1-[2-nitro-4-(trifluoromethyl)phenyl]-, with the CAS registry number 128403-22-5, is also known as 1-[2-Nitro-4-(trifluoromethyl)phenyl]ethan-1-one. This chemical's molecular formula is C9H6F3NO3 and molecular weight is 233.144. What's more, its systematic name is called 1-[2-Nitro-4-(trifluoromethyl)phenyl]ethanone.

Physical properties about Ethanone, 1-[2-nitro-4-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 35.96; (6)ACD/BCF (pH 7.4): 35.96; (7)ACD/KOC (pH 5.5): 452.11; (8)ACD/KOC (pH 7.4): 452.11; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.89 Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 47.8 cm3; (15)Molar Volume: 166.3 cm3; (16)Surface Tension: 35.2 dyne/cm; (17)Density: 1.401 g/cm3; (18)Flash Point: 129.7 °C; (19)Enthalpy of Vaporization: 53.02 kJ/mol; (20)Boiling Point: 290.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00203 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1ccc(c([N+]([O-])=O)c1)C(=O)C
(2) InChI: InChI=1/C9H6F3NO3/c1-5(14)7-3-2-6(9(10,11)12)4-8(7)13(15)16/h2-4H,1H3
(3) InChIKey: SUBBPOYWNZPKFM-UHFFFAOYAO