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870606-45-4

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Basic Information
CAS No.: 870606-45-4
Name: BUTTPARK 100\01-13
Molecular Structure:
Molecular Structure of 870606-45-4 (BUTTPARK 100\01-13)
Formula: C6H4ClF2N
Molecular Weight: 163.55
Synonyms: BUTTPARK 100\01-13;5-CHLORO-2,4-DIFLUORO-BENZENAMINE
Density: 1.459g/cm3
Boiling Point: 218.7 °C at 760 mmHg
Flash Point: 86.1 °C
PSA: 26.02000
LogP: 2.78160
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Specification

The BUTTPARK 100\01-13, with CAS registry number 870606-45-4, has the systematic name of Benzenamine, 5-chloro-2,4-difluoro-. Besides this, it is also called 5-Chloro-2,4-difluoro-benzenamine. And the chemical formula of this chemical is C6H4ClF2N.

Physical properties of BUTTPARK 100\01-13: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 2.46; (5)#H bond acceptors: 1; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 26.02 Å2; (9)Index of Refraction: 1.543; (10)Molar Refractivity: 35.37 cm3; (11)Molar Volume: 112 cm3; (12)Polarizability: 14.02×10-24cm3; (13)Surface Tension: 40.7 dyne/cm; (14)Density: 1.459 g/cm3; (15)Flash Point: 86.1 °C; (16)Enthalpy of Vaporization: 45.51 kJ/mol; (17)Boiling Point: 218.7 °C at 760 mmHg; (18)Vapour Pressure: 0.124 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(F)c(Cl)cc1N
(2)InChI: InChI=1/C6H4ClF2N/c7-3-1-6(10)5(9)2-4(3)8/h1-2H,10H2
(3)InChIKey: IKDJKRZDCUNAAB-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C6H4ClF2N/c7-3-1-6(10)5(9)2-4(3)8/h1-2H,10H2
(5)Std. InChIKey: IKDJKRZDCUNAAB-UHFFFAOYSA-N