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87388-06-5

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Basic Information
CAS No.: 87388-06-5
Name: 4-(2,4-Dichlorophenyl)-1H-pyrrole-3-carbonitrile
Molecular Structure:
Molecular Structure of 87388-06-5 (4-(2,4-Dichlorophenyl)-1H-pyrrole-3-carbonitrile)
Formula: C11H6Cl2N2
Molecular Weight: 237.09
Synonyms: 4-(2,4-dichlorophenyl)-1h-pyrrole-3-carbonitrile
Density: 1.46 g/cm3
Boiling Point: 430.6 °C at 760 mmHg
Flash Point: 214.2 °C
PSA: 39.58000
LogP: 3.86018
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Specification

The 4-(2,4-Dichlorophenyl)-1H-pyrrole-3-carbonitrile with its cas register number is 87388-06-5. The Systematic name about this chemical is 4-(2,4-dichlorophenyl)-1H-pyrrole-3-carbonitrile.

Physical properties about 4-(2,4-Dichlorophenyl)-1H-pyrrole-3-carbonitrile are: (1)ACD/LogP: 4.03; (2)ACD/LogD (pH 5.5): 4.02; (3)ACD/LogD (pH 7.4): 4.02; (4)ACD/BCF (pH 5.5): 674.37; (5)ACD/BCF (pH 7.4): 674.37; (6)ACD/KOC (pH 5.5): 3685.75; (7)ACD/KOC (pH 7.4): 3685.74; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 39.58Å2; (12)Index of Refraction: 1.656; (13)Molar Refractivity: 59.6 cm3; (14)Molar Volume: 162 cm3; (15)Polarizability: 23.62x10-24cm3; (16)Surface Tension: 65.2 dyne/cm; (17)Enthalpy of Vaporization: 68.61 kJ/mol; (18)Vapour Pressure: 1.28E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Cl)c(cc1)c2cncc2C#N
(2)InChI: InChI=1/C11H6Cl2N2/c12-8-1-2-9(11(13)3-8)10-6-15-5-7(10)4-14/h1-3,5-6,15H 
(3)InChIKey: LQQWFTUQARACNM-UHFFFAOYAE