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144574-27-6

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Basic Information
CAS No.: 144574-27-6
Name: (S)-[(3,4-Difluorophenoxy)methyl]-oxirane
Molecular Structure:
Molecular Structure of 144574-27-6 ((S)-[(3,4-Difluorophenoxy)methyl]-oxirane)
Formula: C9H8F2O2
Molecular Weight: 186.16
Synonyms: Oxirane,[(3,4-difluorophenoxy)methyl]-, (S)- (9CI);(2S)-2-[(3,4-Difluorophenoxy)methyl]oxirane;(S)-[(3,4-Difluorophenoxy)methyl]-oxirane;
Density: 1.31 g/cm3
Boiling Point: 242.524 °C at 760 mmHg
Flash Point: 107.479 °C
PSA: 0.00000
LogP: 0.00000
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Specification

The Oxirane,2-[(3,4-difluorophenoxy)methyl]-, (2S)-, with the CAS registry number 144574-27-6, is also known as (S)-[(3,4-Difluorophenoxy)methyl]-oxirane. This chemical's molecular formula is C9H8F2O2 and molecular weight is 186.16. What's more, its systematic name is (2S)-2-[(3,4-Difluorophenoxy)methyl]oxirane.

Physical properties of Oxirane,2-[(3,4-difluorophenoxy)methyl]-, (2S)- are: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.648; (4)ACD/LogD (pH 7.4): 1.648; (5)ACD/BCF (pH 5.5): 10.528; (6)ACD/BCF (pH 7.4): 10.528; (7)ACD/KOC (pH 5.5): 187.673; (8)ACD/KOC (pH 7.4): 187.673; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 21.76 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 41.76 cm3; (15)Molar Volume: 142.161 cm3; (16)Polarizability: 16.555×10-24 cm3; (17)Surface Tension: 39.013 dyne/cm; (18)Density: 1.31 g/cm3; (19)Flash Point: 107.479 °C; (20)Enthalpy of Vaporization: 46.008 kJ/mol; (21)Boiling Point: 242.524 °C at 760 mmHg; (22)Vapour Pressure: 0.053 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(cc1OC[C@@H]2CO2)F)F
(2)InChI: InChI=1/C9H8F2O2/c10-8-2-1-6(3-9(8)11)12-4-7-5-13-7/h1-3,7H,4-5H2/t7-/m1/s1
(3)InChIKey: IPISVAVLYKMJFL-SSDOTTSWSA-N