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119879-90-2

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Basic Information
CAS No.: 119879-90-2
Name: 5-Benzyloxy-2-bromoaniline
Article Data: 3
Molecular Structure:
Molecular Structure of 119879-90-2 (5-Benzyloxy-2-bromoaniline)
Formula: C13H12BrNO
Molecular Weight: 278.148
Synonyms: 5-(Benzyloxy)-2-bromoaniline;5-(Benzyloxy)-2-bromophenylamine;
Density: 1.444 g/cm3
Boiling Point: 397.885 °C at 760 mmHg
Flash Point: 194.434 °C
PSA: 35.25000
LogP: 4.19150
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Specification

The 5-Benzyloxy-2-bromoaniline is an organic compound with the formula C13H12BrNO. The IUPAC name of this chemical is 5-(Benzyloxy)-2-bromoaniline. The CAS registry number of this chemical is 119879-90-2. Besides, its molecular weight is 278.1445.

Physical properties about 5-Benzyloxy-2-bromoaniline are: (1)ACD/LogP: 3.88; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 654; (5)ACD/BCF (pH 7.4): 654; (6)ACD/KOC (pH 5.5): 3605; (7)ACD/KOC (pH 7.4): 3607; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 35.25 Å2; (12)Index of Refraction: 1.639; (13)Molar Refractivity: 69.345 cm3; (14)Molar Volume: 192.602 cm3; (15)Polarizability: 27.491×10-24 cm3; (16)Surface Tension: 50.102 dyne/cm; (17)Density: 1.444 g/cm3; (18)Flash Point: 194.434 °C; (19)Enthalpy of Vaporization: 64.839 kJ/mol; (20)Boiling Point: 397.885 °C at 760 mmHg. 

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C13H12BrNO/c14-12-7-6-11(8-13(12)15)16-9-10-4-2-1-3-5-10/h1-8H,9,15H2
(2)InChIKey: RTDSBDMPNWSMTH-UHFFFAOYAM
(3)Std. InChI: InChI=1S/C13H12BrNO/c14-12-7-6-11(8-13(12)15)16-9-10-4-2-1-3-5-10/h1-8H,9,15H2
(4)Std. InChIKey: RTDSBDMPNWSMTH-UHFFFAOYSA-N