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CAS No.: | 1087640-35-4 |
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Name: | 1-(2,4-dichlorophenylsulfonyl)pyrrolidine |
Molecular Structure: | |
Formula: | C10H11Cl2NO2S |
Molecular Weight: | 278.99 |
Synonyms: | 2,4-dichloro-1-(pyrrolidinylsulfonyl)benzene;1-(2,4-dichlorophenylsulfonyl)pyrrolidine; |
Density: | 1.467 g/cm3 |
Boiling Point: | 397.6 °C at 760 mmHg |
Flash Point: | 194.2 °C |
PSA: | 45.76000 |
LogP: | 3.79660 |
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The Pyrrolidine, 1-[(2,4-dichlorophenyl)sulfonyl]- has the CAS registry number 1087640-35-4. This chemical's molecular formula is C10H11Cl2NO2S and molecular weight is 278.99. What's more, its systematic name is 1-[(2,4-dichlorophenyl)sulfonyl]pyrrolidine.
Physical properties of Pyrrolidine, 1-[(2,4-dichlorophenyl)sulfonyl]- are: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 3.01; (5)ACD/BCF (pH 5.5): 114.68; (6)ACD/BCF (pH 7.4): 114.68; (7)ACD/KOC (pH 5.5): 1037.03; (8)ACD/KOC (pH 7.4): 1037.03; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.76 Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 65.58 cm3; (15)Molar Volume: 190.9 cm3; (16)Polarizability: 26×10-24cm3; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.467 g/cm3; (19)Flash Point: 194.2 °C; (20)Enthalpy of Vaporization: 64.8 kJ/mol; (21)Boiling Point: 397.6 °C at 760 mmHg; (22)Vapour Pressure: 1.57E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(cc1Cl)Cl)S(=O)(=O)N2CCCC2
(2)InChI: InChI=1S/C10H11Cl2NO2S/c11-8-3-4-10(9(12)7-8)16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2
(3)InChIKey: REBMQJLEEXXLQJ-UHFFFAOYSA-N