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(R)-2-Chloro-1-(4-methoxyphenyl)ethanol

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Name

(R)-2-Chloro-1-(4-methoxyphenyl)ethanol

EINECS N/A
CAS No. 186345-05-1 Density 1.197g/cm3
PSA 29.46000 LogP 1.96740
Solubility N/A Melting Point N/A
Formula C9H11ClO2 Boiling Point 307.7 °C at 760 mmHg
Molecular Weight 186.638 Flash Point 139.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 186345-05-1 ((R)-2-Chloro-1-(4-methoxyphenyl)ethanol) Hazard Symbols N/A
Synonyms

Benzenemethanol,a-(chloromethyl)-4-methoxy-, (R)-;

Article Data 36

(R)-2-Chloro-1-(4-methoxyphenyl)ethanol Specification

The (R)-2-Chloro-1-(4-methoxyphenyl)ethanol, with CAS registry number 186345-05-1, has the systematic name of benzenemethanol, α-(chloromethyl)-4-methoxy-, (alphaR)-. Besides this, it is also called (1R)-2-Chloro-1-(4-methoxyphenyl)ethanol. And the chemical formula of this chemical is C9H11ClO2.

Physical properties of (R)-2-Chloro-1-(4-methoxyphenyl)ethanol: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 6.68; (6)ACD/BCF (pH 7.4): 6.68; (7)ACD/KOC (pH 5.5): 135.52; (8)ACD/KOC (pH 7.4): 135.52; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.46 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 48.86 cm3; (15)Molar Volume: 155.8 cm3; (16)Polarizability: 19.37×10-24cm3; (17)Surface Tension: 40.9 dyne/cm; (18)Enthalpy of Vaporization: 57.9 kJ/mol; (19)Vapour Pressure: 0.000309 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1)[C@H](CCl)O
(2)InChI: InChI=1/C9H11ClO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,9,11H,6H2,1H3/t9-/m0/s1
(3)InChIKey: IXDKUPFFQWYOHD-VIFPVBQEBU
(4)Std. InChI: InChI=1S/C9H11ClO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,9,11H,6H2,1H3/t9-/m0/s1
(5)Std. InChIKey: IXDKUPFFQWYOHD-VIFPVBQESA-N

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