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105945-24-2

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Basic Information
CAS No.: 105945-24-2
Name: 3-(4-CHLORO-PHENOXY)-PHENYLAMINE
Article Data: 2
Molecular Structure:
Molecular Structure of 105945-24-2 (3-(4-CHLORO-PHENOXY)-PHENYLAMINE)
Formula: C12H10ClNO
Molecular Weight: 219.671
Synonyms: Aniline,m-(p-chlorophenoxy)- (6CI);3-(4-Chlorophenoxy)aniline;3-(4-Chloro-phenoxy)-phenylamine;
Density: 1.26 g/cm3
Boiling Point: 345.6 °C at 760 mmHg
Flash Point: 162.8 °C
PSA: 35.25000
LogP: 4.29570
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Specification

The Benzenamine,3-(4-chlorophenoxy)-, with the CAS registry number 105945-24-2, is also known as 3-(4-Chloro-phenoxy)-phenylamine. This chemical's molecular formula is C12H10ClNO and molecular weight is 219.67. What's more, its systematic name is 3-(4-chlorophenoxy)aniline.

Physical properties of Benzenamine,3-(4-chlorophenoxy)- are: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.23; (5)ACD/BCF (pH 5.5): 164.48; (6)ACD/BCF (pH 7.4): 168.49; (7)ACD/KOC (pH 5.5): 1333.19; (8)ACD/KOC (pH 7.4): 1365.7; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.25 Å2; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 61.82 cm3; (15)Molar Volume: 174.2 cm3; (16)Polarizability: 24.51×10-24cm3; (17)Surface Tension: 48.6 dyne/cm; (18)Density: 1.26 g/cm3; (19)Flash Point: 162.8 °C; (20)Enthalpy of Vaporization: 58.96 kJ/mol; (21)Boiling Point: 345.6 °C at 760 mmHg; (22)Vapour Pressure: 6.11E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)OC2=CC=C(C=C2)Cl)N
(2)InChI: InChI=1S/C12H10ClNO/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H,14H2
(3)InChIKey: ATJUNEXOAIZXKR-UHFFFAOYSA-N