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56966-51-9

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Basic Information
CAS No.: 56966-51-9
Name: 5-CHLORO-2-(3-METHYLPHENOXY)ANILINE
Molecular Structure:
Molecular Structure of 56966-51-9 (5-CHLORO-2-(3-METHYLPHENOXY)ANILINE)
Formula: C13H12ClNO
Molecular Weight: 233.697
Synonyms: 5-Chloro-2-(3-methylphenoxy)aniline;
Density: 1.226 g/cm3
Boiling Point: 339 °C at 760 mmHg
Flash Point: 158.8 °C
PSA: 35.25000
LogP: 4.60410
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Specification

The CAS register number of Benzenamine,5-chloro-2-(3-methylphenoxy)- is 56966-51-9. The IUPAC name about this chemical is 5-chloro-2-(3-methylphenoxy)aniline. The molecular formula about this chemical is C13H12ClNO and the molecular weight is 233.6935.

Physical properties about Benzenamine,5-chloro-2-(3-methylphenoxy)- are: (1)ACD/LogP: 3.80; (2)#H bond acceptors: 2; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 12.47Å2; (6)Index of Refraction: 1.616; (7)Molar Refractivity: 66.65 cm3; (8)Molar Volume: 190.5 cm3; (9)Polarizability: 26.42x10-24cm3; (10)Surface Tension: 46.5 dyne/cm; (11)Flash Point: 158.8 °C; (12)Enthalpy of Vaporization: 58.24 kJ/mol; (13)Boiling Point: 339 °C at 760 mmHg; (14)Vapour Pressure: 9.47E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(c(Oc1cc(ccc1)C)cc2)N
(2)InChI: InChI=1/C13H12ClNO/c1-9-3-2-4-11(7-9)16-13-6-5-10(14)8-12(13)15/h2-8H,15H2,1H3
(3)InChIKey: KBUUENZGTGZADQ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C13H12ClNO/c1-9-3-2-4-11(7-9)16-13-6-5-10(14)8-12(13)15/h2-8H,15H2,1H3
(5)Std. InChIKey: KBUUENZGTGZADQ-UHFFFAOYSA-N