CAS No.14472-80-1,Cyclohexanone, 4-(4-chlorophenyl)- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14472-80-1
Name:	Cyclohexanone, 4-(4-chlorophenyl)-
Article Data:	16

Formula:	C₁₂H₁₃ClO
Molecular Weight:	208.688
Synonyms:	Cyclohexanone,4-(p-chlorophenyl)- (7CI,8CI);4-(4-Chlorophenyl)cyclohexanone;
Density:	1.165g/cm³
Melting Point:	138-141 °C
Boiling Point:	323.664 °C at 760 mmHg
Flash Point:	171.767 °C
Appearance:	colorless liquid
PSA:	17.07000
LogP:	3.56670

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Specification

The 4-(4-Chlorophenyl)cyclohexanone with cas registry number of 14472-80-1, has the systematic name of 4-(4-chlorophenyl)cyclohexanone. And it is also named Cyclohexanone, 4-(4-chlorophenyl)-.

Physical properties about this chemical are: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 121; (6)ACD/BCF (pH 7.4): 121; (7)ACD/KOC (pH 5.5): 1079; (8)ACD/KOC (pH 7.4): 1079; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 57.14 cm³; (15)Molar Volume: 179.086 cm³; (16)Polarizability: 22.652×10^-24cm³; (17)Surface Tension: 41.594 dyne/cm; (18)Enthalpy of Vaporization: 56.562 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C2CCC(=O)CC2;
(2)InChI: InChI=1/C12H13ClO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-2,5-6,10H,3-4,7-8H2;
(3)InChIKey: JNBOVWFOTNYTES-UHFFFAOYAD;
(4)Std. InChI: InChI=1S/C12H13ClO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-2,5-6,10H,3-4,7-8H2;
(5)Std. InChIKey: JNBOVWFOTNYTES-UHFFFAOYSA-N