CAS No.165115-73-1,1,3-PROPANEDIOL, 2-[2-(2,4-DIFLUOROPHENYL)-2-PROPEN-1-YL]- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	165115-73-1
Name:	1,3-PROPANEDIOL, 2-[2-(2,4-DIFLUOROPHENYL)-2-PROPEN-1-YL]-
Article Data:	14

Formula:	C₁₂H₁₄F₂O₂
Molecular Weight:	228.239
Synonyms:	1,3-Propanediol,2-[2-(2,4-difluorophenyl)-2-propenyl]- (9CI);
Density:	1.21 g/cm³
Boiling Point:	368.304 °C at 760 mmHg
Flash Point:	176.544 °C
PSA:	40.46000
LogP:	1.96890

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Specification

The 2-[2-(2,4-Difluorophenyl)-2-propen-1-yl]-1,3-propanediol is an organic compound with the formula C₁₂H₁₄F₂O₂. The systematic name of this chemical is 2-[2-(2,4-difluorophenyl)prop-2-enyl]propane-1,3-diol. With the CAS registry number 165115-73-1, it is also named as 1,3-propanediol, 2-[2-(2,4-difluorophenyl)-2-propen-1-yl]-.

Physical properties about this chemical are: (1)ACD/LogP: 1.30; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 16; (5)ACD/BCF (pH 7.4): 16; (6)ACD/KOC (pH 5.5): 255; (7)ACD/KOC (pH 7.4): 255; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 40.46 Å²; (12)Index of Refraction: 1.52; (13)Molar Refractivity: 57.367 cm³; (14)Molar Volume: 188.574 cm³; (15)Polarizability: 22.742×10^-24cm³; (16)Surface Tension: 40.875 dyne/cm; (17)Density: 1.21 g/cm³; (18)Flash Point: 176.544 °C; (19)Enthalpy of Vaporization: 64.878 kJ/mol; (20)Boiling Point: 368.304 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: C=C(CC(CO)CO)c1ccc(cc1F)F
(2)InChI: InChI=1/C12H14F2O2/c1-8(4-9(6-15)7-16)11-3-2-10(13)5-12(11)14/h2-3,5,9,15-16H,1,4,6-7H2
(3)InChIKey: WOLIKRXEOQATPC-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C12H14F2O2/c1-8(4-9(6-15)7-16)11-3-2-10(13)5-12(11)14/h2-3,5,9,15-16H,1,4,6-7H2
(5)Std. InChIKey: WOLIKRXEOQATPC-UHFFFAOYSA-N