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CAS No.: | 208941-51-9 |
---|---|
Name: | (3',5'-DICHLOROBIPHENYL-3-YL)-METHANOL |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C13H10Cl2O |
Molecular Weight: | 253.128 |
Synonyms: | 3',5'-Dichlorobiphenyl-3-ylmethanol;[3-(3,5-Dichlorophenyl)phenyl]methanol; |
Density: | 1.315 g/cm3 |
Boiling Point: | 393.9 °C at 760 mmHg |
Flash Point: | 147.5 °C |
PSA: | 20.23000 |
LogP: | 4.15270 |
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This chemical is called [1,1'-Biphenyl]-3-methanol,3',5'-dichloro-, and it can also be named as [3-(3,5-dichlorophenyl)phenyl]methanol. With the molecular formula of C13H10Cl2O, its molecular weight is 253.12. The CAS registry number of this chemical is 208941-51-9, and its systematic name is (3',5'-Dichlorobiphenyl-3-yl)methanol.
Other characteristics of the [1,1'-Biphenyl]-3-methanol,3',5'-dichloro- can be summarised as followings: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.94; (4)ACD/LogD (pH 7.4): 3.94; (5)ACD/BCF (pH 5.5): 577.38; (6)ACD/BCF (pH 7.4): 577.38; (7)ACD/KOC (pH 5.5): 3298.04; (8)ACD/KOC (pH 7.4): 3298.04; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 67.08 cm3; (15)Molar Volume: 192.4 cm3; (16)Polarizability: 26.59×10-24 cm3; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.315 g/cm3; (19)Flash Point: 147.5 °C; (20)Enthalpy of Vaporization: 67.91 kJ/mol; (21)Boiling Point: 393.9 °C at 760 mmHg; (22)Vapour Pressure: 6.52E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc(cc(Cl)c1)c2cccc(CO)c2
2.InChI: InChI=1/C13H10Cl2O/c14-12-5-11(6-13(15)7-12)10-3-1-2-9(4-10)8-16/h1-7,16H,8H2
3.InChIKey: NDUNKFCLOGGUEY-UHFFFAOYAG