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4209-78-3

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Basic Information
CAS No.: 4209-78-3
Name: 2alpha,3alpha-Dicyano-1,2,3,4-tetrahydro-1beta,4beta-diphenyl-2,3-naphthalenedicarboximide
Molecular Structure:
Molecular Structure of 4209-78-3 (2alpha,3alpha-Dicyano-1,2,3,4-tetrahydro-1beta,4beta-diphenyl-2,3-naphthalenedicarboximide)
Formula: C13H9ClO2
Molecular Weight: 232.6624
Synonyms: 2alpha,3alpha-Dicyano-1,2,3,4-tetrahydro-1beta,4beta-diphenyl-2,3-naphthalenedicarboximide
Density: 1.307 g/cm3
Boiling Point: 404 °C at 760 mmHg
Flash Point: 198.1 °C
PSA: 97.24000
LogP: 3.91626
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    4-Hydroxy-4'-chlorobenzophenone

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  • 4-Hydroxy-4'-chlorobenzophenone

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    4-Hydroxy-4'-chlorobenzophenone

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Specification

The 4-Hydroxy-4'-chlorobenzophenone, with the CAS registry number of 4209-78-3, is also known as Methanone, (4-chlorophenyl)(4-hydroxyphenyl)-. Its molecular formula is C13H9ClO2 and molecular weight is 232.6624. What's more, its systematic name is (4-Chlorophenyl)(4-hydroxyphenyl)methanone.

Physical properties about the 4-Hydroxy-4'-chlorobenzophenone are: (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.58; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 311.67; (6)ACD/BCF (pH 7.4): 206.56; (7)ACD/KOC (pH 5.5): 2117.35; (8)ACD/KOC (pH 7.4): 1403.28; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 62.82 cm3; (15)Molar Volume: 177.9 cm3; (16)Surface Tension: 51.9 dyne/cm; (17)Density: 1.307 g/cm3; (18)Flash Point: 198.1 °C; (19)Enthalpy of Vaporization: 68.09 kJ/mol; (20)Boiling Point: 404 °C at 760 mmHg; (21)Vapour Pressure: 4.17E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(Cl)cc1)c2ccc(O)cc2
(2) InChI: InChI=1/C13H9ClO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,15H
(3) InChIKey: RUETVLNXAGWCDS-UHFFFAOYAI