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1152088-62-4

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Basic Information
CAS No.: 1152088-62-4
Name: (5-bromo-2-(trifluoromethoxy)phenyl)methanamine
Article Data: 1
Molecular Structure:
Molecular Structure of 1152088-62-4 ((5-bromo-2-(trifluoromethoxy)phenyl)methanamine)
Formula: C8H7BrF3NO
Molecular Weight: 270.049
Synonyms: (5-bromo-2-(trifluoromethoxy)phenyl)methanamine;5-Bromo-2-(trifluoromethoxy)benzenemethanamine
Density: 1.627 g/cm3
Boiling Point: 243.043 °C at 760 mmHg
Flash Point: 100.789 °C
PSA: 35.25000
LogP: 3.50670
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Specification

The 5-Bromo-2-(trifluoromethoxy)benzenemethanamine is an organic compound with the formula C8H7BrF3NO. The IUPAC name of this chemical is [5-bromo-2-(trifluoromethoxy)phenyl]methanamine and the CAS registry number is 1152088-62-4. In addition, the molecular weight is 270.05. 

The other characteristics of 5-Bromo-2-(trifluoromethoxy)benzenemethanamine can be summarized as: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.969; (4)ACD/LogD (pH 7.4): 2.675; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 41.786; (7)ACD/KOC (pH 5.5): 6.037; (8)ACD/KOC (pH 7.4): 306.787; (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: 1.509; (14)Molar Refractivity: 49.53 cm3; (15)Molar Volume: 166 cm3; (16)Polarizability: 19.635×10-24 cm3; (17)Surface Tension: 35.048 dyne/cm; (18)Density: 1.627 g/cm3; (19)Flash Point: 100.789 °C; (20)Enthalpy of Vaporization: 48.005 kJ/mol; (21)Boiling Point: 243.043 °C at 760 mmHg; (22)Vapour Pressure: 0.033 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:c1cc(c(cc1Br)CN)OC(F)(F)F
2. InChI:InChI=1/C8H7BrF3NO/c9-6-1-2-7(5(3-6)4-13)14-8(10,11)12/h1-3H,4,13H2 
3. InChIKey:NJQPNUQKZRXPOS-UHFFFAOYAJ
4. Std. InChI:InChI=1S/C8H7BrF3NO/c9-6-1-2-7(5(3-6)4-13)14-8(10,11)12/h1-3H,4,13H2
5. Std. InChIKey:NJQPNUQKZRXPOS-UHFFFAOYSA-N