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209001-29-6

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Basic Information
CAS No.: 209001-29-6
Name: 2-aMino-3-broMo-5-(trifluoroMethyl)phenol
Molecular Structure:
Molecular Structure of 209001-29-6 (2-aMino-3-broMo-5-(trifluoroMethyl)phenol)
Formula: C7H5BrF3NO
Molecular Weight: 256.02
Synonyms: 2-Amino-3-bromo-5-(trifluoromethyl)phenol;
Density: 1.831 g/cm3
Boiling Point: 253.561 °C at 760 mmHg
Flash Point: 107.15 °C
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Specification

The Phenol, 2-amino-3-bromo-5-(trifluoromethyl)- has the CAS registry number 209001-29-6. This chemical's molecular formula is C7H5BrF3NO and molecular weight is 256.02. What's more, its systematic name is 2-Amino-3-bromo-5-(trifluoromethyl)phenol.

Physical properties of Phenol, 2-amino-3-bromo-5-(trifluoromethyl)- are: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.264; (4)ACD/LogD (pH 7.4): 3.131; (5)ACD/BCF (pH 5.5): 177.987; (6)ACD/BCF (pH 7.4): 131.052; (7)ACD/KOC (pH 5.5): 1418.608; (8)ACD/KOC (pH 7.4): 1044.527; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.25 Å2; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 45.041 cm3; (15)Molar Volume: 139.839 cm3; (16)Polarizability: 17.856×10-24 cm3; (17)Surface Tension: 41.92 dyne/cm; (18)Density: 1.831 g/cm3; (19)Flash Point: 107.15 °C; (20)Enthalpy of Vaporization: 51.08 kJ/mol; (21)Boiling Point: 253.561 °C at 760 mmHg; (22)Vapour Pressure: 0.011 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cc(c(c1O)N)Br)C(F)(F)F
(2)InChI: InChI=1/C7H5BrF3NO/c8-4-1-3(7(9,10)11)2-5(13)6(4)12/h1-2,13H,12H2
(3)InChIKey: AMVIAFUHAWPKLQ-UHFFFAOYSA-N