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142810-49-9

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Basic Information
CAS No.: 142810-49-9
Name: Cyclohexanecarboxamide,N-(4-chlorophenyl)-
Molecular Structure:
Molecular Structure of 142810-49-9 (Cyclohexanecarboxamide,N-(4-chlorophenyl)-)
Formula: C13H16ClNO
Molecular Weight: 237.73
Synonyms: Cyclohexanecarboxamide,N-(4-chlorophenyl)-
Density: 1.206 g/cm3
Boiling Point: 413.6 °C at 760 mmHg
Flash Point: 203.9 °C
Appearance: WHITE
PSA: 29.10000
LogP: 3.93180
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Specification

This chemical is called Cyclohexanecarboxamide, N-(4-chlorophenyl)-, and its systematic name is N-(4-chlorophenyl)cyclohexanecarboxamide. With the molecular formula of C13H16ClNO, its molecular weight is 237.73. The CAS registry number of this chemical is 142810-49-9.

Other characteristics of the Cyclohexanecarboxamide, N-(4-chlorophenyl)- can be summarised as followings: (1)ACD/LogP: 4.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.11; (4)ACD/LogD (pH 7.4): 4.11; (5)ACD/BCF (pH 5.5): 782.14; (6)ACD/BCF (pH 7.4): 782.14; (7)ACD/KOC (pH 5.5): 4098.39; (8)ACD/KOC (pH 7.4): 4098.4; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 66.31 cm3; (15)Molar Volume: 196.9 cm3; (16)Polarizability: 26.29×10-24cm3; (17)Surface Tension: 49.7 dyne/cm; (18)Density: 1.206 g/cm3; (19)Flash Point: 203.9 °C; (20)Enthalpy of Vaporization: 66.64 kJ/mol; (21)Boiling Point: 413.6 °C at 760 mmHg; (22)Vapour Pressure: 4.76E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(Nc1ccc(Cl)cc1)C2CCCCC2
2.InChI: InChI=1/C13H16ClNO/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,15,16)
3.InChIKey: RVJKIPFPMXENNO-UHFFFAOYAK