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206193-18-2

Basic Information
CAS No.: 206193-18-2
Name: (2R)-3-Bromo-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
Article Data: 14
Molecular Structure:
Molecular Structure of 206193-18-2 ((2R)-3-Bromo-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide)
Formula: C11H10BrF3N2O4
Molecular Weight: 371.111
Synonyms: (R)-3-bromo-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide
Density: 1.753 g/cm3
Melting Point: 100-101.5 °C
Boiling Point: 491.7 °C at 760 mmHg
Flash Point: 251.2 °C
PSA: 98.64000
LogP: 3.87070
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Specification

The (2R)-3-Bromo-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide is an organic compound with the formula C11H10BrF3N2O4. The systematic name of this chemical is (2R)-3-bromo-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide. With the CAS registry number 206193-18-2, it is also named as (R)-3-Bromo-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide.

Physical properties about (2R)-3-Bromo-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide are: (1)ACD/LogP: 4.16; (2)ACD/LogD (pH 5.5): 4.16; (3)ACD/LogD (pH 7.4): 4.16; (4)ACD/BCF (pH 5.5): 859.47; (5)ACD/BCF (pH 7.4): 859.4; (6)ACD/KOC (pH 5.5): 4384.52; (7)ACD/KOC (pH 7.4): 4384.19; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 75.36 Å2; (12)Index of Refraction: 1.581; (13)Molar Refractivity: 70.54 cm3; (14)Molar Volume: 211.6 cm3; (15)Polarizability: 27.96×10-24cm3; (16)Surface Tension: 51.6 dyne/cm; (17)Density: 1.753 g/cm3; (18)Flash Point: 251.2 °C; (19)Enthalpy of Vaporization: 79.89 kJ/mol; (20)Boiling Point: 491.7 °C at 760 mmHg; (21)Vapour Pressure: 1.74E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F)(F)F)[C@](O)(C)CBr
(2)InChI: InChI=1/C11H10BrF3N2O4/c1-10(19,5-12)9(18)16-6-2-3-8(17(20)21)7(4-6)11(13,14)15/h2-4,19H,5H2,1H3,(H,16,18)/t10-/m0/s1
(3)InChIKey: QDSWNDMHSBZXKX-JTQLQIEIBD
(4)Std. InChI: InChI=1S/C11H10BrF3N2O4/c1-10(19,5-12)9(18)16-6-2-3-8(17(20)21)7(4-6)11(13,14)15/h2-4,19H,5H2,1H3,(H,16,18)/t10-/m0/s1
(5)Std. InChIKey: QDSWNDMHSBZXKX-JTQLQIEISA-N