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155937-28-3

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Basic Information
CAS No.: 155937-28-3
Name: 1-CHLORO-4-(4-FLUOROPHENYL)PHTHALAZINE
Molecular Structure:
Molecular Structure of 155937-28-3 (1-CHLORO-4-(4-FLUOROPHENYL)PHTHALAZINE)
Formula: C14H8ClFN2
Molecular Weight: 258.682
Synonyms: Phthalazine, 1-chloro-4-(4-fluorophenyl)-;
Density: 1.351 g/cm3
Melting Point: 196-197℃
Boiling Point: 440.8 °C at 760 mmHg
Flash Point: 220.4 °C
PSA: 25.78000
LogP: 4.08930
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Specification

The 1-Chloro-4-(4-fluorophenyl)phthalazine (IM OCS), with the CAS registry number 155937-28-3, is also known as Phthalazine, 1-chloro-4-(4-fluorophenyl)-. This chemical's molecular formula is C14H8ClFN2 and molecular weight is 258.6781. What's more, its systematic name is called 1-Chloro-4-(4-fluorophenyl)phthalazine.

Physical properties about 1-Chloro-4-(4-fluorophenyl)phthalazine (IM OCS) are: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4) ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 111.59; (6)ACD/BCF (pH 7.4): 111.59; (7)ACD/KOC (pH 5.5): 1016.93; (8)ACD/KOC (pH 7.4): 1016.96; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 69.75 cm3; (15)Molar Volume: 191.4 cm3; (16)Surface Tension: 52.6 dyne/cm; (17)Density: 1.351 g/cm3; (18)Flash Point: 220.4 °C; (19)Enthalpy of Vaporization: 67.11 kJ/mol; (20)Boiling Point: 440.8 °C at 760 mmHg; (21)Vapour Pressure: 1.48E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc3ccc(c2nnc(Cl)c1ccccc12)cc3
(2) InChI: InChI=1/C14H8ClFN2/c15-14-12-4-2-1-3-11(12)13(17-18-14)9-5-7-10(16)8-6-9/h1-8H
(3) InChIKey: LIFADULWFCVAQR-UHFFFAOYAO