Basic information
- Name:
4-Benzyloxy-2,5-dichlorophenol
- CAS No.:
6172-34-5
- Molecular Structure:
- Formula:
- C13H10Cl2O2
- Molecular Weight:
- 269.1233
- Density:
- 1.37 g/cm3
- Boiling Point:
- 380.339 °C at 760 mmHg
- Flash Point:
- 183.823 °C
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Specification
This chemical is an organic compound with the formula C13H10Cl2O2. The systematic name of this chemical is 4-(benzyloxy)-2,6-dichlorophenol and the CAS registry number is 6172-34-5. In addition, the molecular weight is 269.12.
The other characteristics of 4-Benzyloxy-2,5-dichlorophenol can be summarized as: (1)ACD/LogP: 4.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 1679; (6)ACD/BCF (pH 7.4): 840; (7)ACD/KOC (pH 5.5): 7057; (8)ACD/KOC (pH 7.4): 3531; (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: 1.621; (14)Molar Refractivity: 69.091 cm3; (15)Molar Volume: 196.469 cm3; (16)Polarizability: 27.39×10-24 cm3; (17)Surface Tension: 50.154 dyne/cm; (18)Density: 1.37 g/cm3; (19)Flash Point: 183.823 °C; (20)Enthalpy of Vaporization: 65.31 kJ/mol; (21)Boiling Point: 380.339 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:Clc1cc(cc(Cl)c1O)OCc2ccccc2
2. InChI:InChI=1/C13H10Cl2O2/c14-11-6-10(7-12(15)13(11)16)17-8-9-4-2-1-3-5-9/h1-7,16H,8H2
3. InChIKey:MWDOKIQMFZRNHA-UHFFFAOYAN
4. Std. InChI:InChI=1S/C13H10Cl2O2/c14-11-6-10(7-12(15)13(11)16)17-8-9-4-2-1-3-5-9/h1-7,16H,8H2
5. Std. InChIKey:MWDOKIQMFZRNHA-UHFFFAOYSA-N
