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1072952-15-8

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Basic Information
CAS No.: 1072952-15-8
Name: 2-Amino-3,5-difluorophenylboronic acid
Molecular Structure:
Molecular Structure of 1072952-15-8 (2-Amino-3,5-difluorophenylboronic acid)
Formula: C6H6BF2NO2
Molecular Weight: 172.93
Synonyms: Boronic acid, B-(2-amino-3,5-difluorophenyl)-;(2-Amino-3,5-difluoro-phenyl)boronic acid;
Density: 1.439 g/cm3
Boiling Point: 332.969 °C at 760 mmHg
Flash Point: 155.175 °C
PSA: 66.48000
LogP: -0.19200
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Specification

The 2-Amino-3,5-difluorophenylboronic acid, with the CAS registry number 1072952-15-8, is also known as Boronic acid, B-(2-amino-3,5-difluorophenyl)-. It belongs to the product category of Boronic Acid. This chemical's molecular formula is C6H6BF2NO2 and molecular weight is 172.93. What's more, its systematic name is (2-amino-3,5-difluoro-phenyl)boronic acid.

Physical properties of 2-Amino-3,5-difluorophenylboronic acid are: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.496; (4)ACD/BCF (pH 5.5): 1.365; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 42.09; (7)ACD/KOC (pH 7.4): 4.47; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 66.48 Å2; (12)Index of Refraction: 1.53; (13)Molar Refractivity: 37.131 cm3; (14)Molar Volume: 120.176 cm3; (15)Polarizability: 14.72×10-24cm3; (16)Surface Tension: 46.819 dyne/cm; (17)Density: 1.439 g/cm3; (18)Flash Point: 155.175 °C; (19)Enthalpy of Vaporization: 60.776 kJ/mol; (20)Boiling Point: 332.969 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(cc(c1N)F)F)(O)O
(2)InChI: InChI=1S/C6H6BF2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,11-12H,10H2
(3)InChIKey: UCYXMGAVMYFHST-UHFFFAOYSA-N