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Basic Information
CAS No.: 68575-35-9
Name: 2-(3,5-Dichlorophenyl)-2-Propanol
Molecular Structure:
Molecular Structure of 68575-35-9 (2-(3,5-Dichlorophenyl)-2-Propanol)
Formula: C9H10Cl2O
Molecular Weight: 205.084
Synonyms: 2-(3,5-Dichlorophenyl)-2-propanol;
Density: 1.273 g/cm3
Boiling Point: 261.2 °C at 760 mmHg
Flash Point: 113 °C
PSA: 20.23000
LogP: 3.22080
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Specification

This chemical is called Benzenemethanol,3,5-dichloro-alpha,alpha-dimethyl-, and its systematic name is 2-(3,5-Dichlorophenyl)propan-2-ol. With the molecular formula of C9H10Cl2O, its molecular weight is 205.08. The CAS registry number of the chemical is 68575-35-9.

Other characteristics of Benzenemethanol,3,5-dichloro-alpha,alpha-dimethyl- can be summarised as followings: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.93; (4)ACD/LogD (pH 7.4): 2.93; (5)ACD/BCF (pH 5.5): 99.97; (6)ACD/BCF (pH 7.4): 99.97; (7)ACD/KOC (pH 5.5): 939.95; (8)ACD/KOC (pH 7.4): 939.95; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 51.33 cm3; (15)Molar Volume: 161 cm3; (16)Polarizability: 20.34×10-24cm3; (17)Surface Tension: 39.6 dyne/cm; (18)Density: 1.273 g/cm3; (19)Flash Point: 113 °C; (20)Enthalpy of Vaporization: 52.71 kJ/mol; (21)Boiling Point: 261.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00595 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc(cc(Cl)c1)C(O)(C)C
2.InChI: InChI=1/C9H10Cl2O/c1-9(2,12)6-3-7(10)5-8(11)4-6/h3-5,12H,1-2H3
3.InChIKey: LZJXTXRCENENLT-UHFFFAOYAI
4.Std. InChI: InChI=1S/C9H10Cl2O/c1-9(2,12)6-3-7(10)5-8(11)4-6/h3-5,12H,1-2H3
5.Std. InChIKey: LZJXTXRCENENLT-UHFFFAOYSA-N