Basic information
- Name:
1-Propanone,1-(4-chlorophenyl)-2-cyclopropyl-
- Superlist Name:
- 1-(4-Chlorophenyl)-2-cyclopropylpropan-1-one
- CAS No.:
123989-29-7
- Molecular Structure:
- Formula:
- C12H13ClO
- Molecular Weight:
- 208.68
- Density:
- 1.181g/cm3
- Boiling Point:
- 310.269 °C at 760 mmHg
- Flash Point:
- 166.719 °C
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Specification
The 1-Propanone,1-(4-chlorophenyl)-2-cyclopropyl-, with the CAS registry number 123989-29-7, has the systematic name of 1-(4-chlorophenyl)-2-cyclopropylpropan-1-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C12H13ClO.
The characteristics of 1-Propanone,1-(4-chlorophenyl)-2-cyclopropyl- are as followings: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.6; (4)ACD/LogD (pH 7.4): 3.6; (5)ACD/BCF (pH 5.5): 318.1; (6)ACD/BCF (pH 7.4): 318.1; (7)ACD/KOC (pH 5.5): 2152.51; (8)ACD/KOC (pH 7.4): 2152.51; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 57.56 cm3; (15)Molar Volume: 176.7 cm3; (16)Polarizability: 22.81×10-24cm3; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 166.7 °C; (20)Enthalpy of Vaporization: 55.11 kJ/mol; (21)Boiling Point: 310.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000607 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccc(Cl)cc1)C(C)C2CC2
(2)InChI: InChI=1/C12H13ClO/c1-8(9-2-3-9)12(14)10-4-6-11(13)7-5-10/h4-9H,2-3H2,1H3
(3)InChIKey: LRWCURGZPQWMRG-UHFFFAOYAX
