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CAS No.: | 571159-05-2 |
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Name: | 2-CHLORO-1-[1-(4-CHLOROPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]-1-ETHANONE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C14H13Cl2NO |
Molecular Weight: | 282.169 |
Synonyms: | 1-Ethanone, 2-chloro-1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-;2-Chloro-1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethan-1-one; |
Density: | 1.24 g/cm3 |
Boiling Point: | 412 °C at 760 mmHg |
Flash Point: | 203 °C |
PSA: | 22.00000 |
LogP: | 4.16900 |
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The Ethanone,2-chloro-1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-, with the CAS registry number 571159-05-2, is also known as 2-Chloro-1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethan-1-one. This chemical's molecular formula is C14H13Cl2NO and molecular weight is 282.17. What's more, its systematic name is 2-chloro-1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone.
Physical properties of Ethanone,2-chloro-1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]- are: (1)ACD/LogP: 4.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.22; (4)ACD/LogD (pH 7.4): 4.22; (5)ACD/BCF (pH 5.5): 955.9; (6)ACD/BCF (pH 7.4): 955.9; (7)ACD/KOC (pH 5.5): 4731.3; (8)ACD/KOC (pH 7.4): 4731.3; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 22 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 75.6 cm3; (15)Molar Volume: 225.9 cm3; (16)Polarizability: 29.97×10-24cm3; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.24 g/cm3; (19)Flash Point: 203 °C; (20)Enthalpy of Vaporization: 66.46 kJ/mol; (21)Boiling Point: 412 °C at 760 mmHg; (22)Vapour Pressure: 5.35E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(=O)c2c(n(c1ccc(Cl)cc1)c(c2)C)C
(2)Std. InChI: InChI=1S/C14H13Cl2NO/c1-9-7-13(14(18)8-15)10(2)17(9)12-5-3-11(16)4-6-12/h3-7H,8H2,1-2H3
(3)Std. InChIKey: OYEPFHWXRWTABW-UHFFFAOYSA-N