Name: 2-AMINO-5-FLUOROBENZENEBORONIC ACID
SKU: 1040400-87-0

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Basic Information

Molecular Structure:
CAS No.:	1040400-87-0
Name:	2-AMINO-5-FLUOROBENZENEBORONIC ACID

Formula:	C₆H₇BFNO₂
Molecular Weight:	154.936
Synonyms:	2-Amino-5-fluorophenyl boronic;(2-Amino-5-fluorophenyl)boronic acid;2-Amino-5-fluorobenzeneboronic acid;
Density:	1.34 g/cm³
Boiling Point:	357 °C at 760 mmHg
Flash Point:	169.7 °C
PSA:	66.48000
LogP:	-0.33110

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Specification

The Boronic acid, B-(2-amino-5-fluorophenyl)-, with the CAS registry number 1040400-87-0, is also known as 2-Amino-5-fluorobenzeneboronic acid. It belongs to the product category of Boronic Acid. This chemical's molecular formula is C₆H₇BFNO₂ and molecular weight is 154.93. What's more, its systematic name is (2-amino-5-fluorophenyl)boronic acid.

Physical properties of Boronic acid, B-(2-amino-5-fluorophenyl)- are: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.51; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 1.41; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 44.15; (8)ACD/KOC (pH 7.4): 23.53; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 66.48 Å²; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 37.01 cm³; (15)Molar Volume: 115.3 cm³; (16)Polarizability: 14.67×10^-24cm³; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 169.7 °C; (20)Enthalpy of Vaporization: 63.56 kJ/mol; (21)Boiling Point: 357 °C at 760 mmHg; (22)Vapour Pressure: 1.02E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1cc(F)ccc1N
(2)InChI: InChI=1S/C6H7BFNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H,9H2
(3)InChIKey: ISZXCHNOGDNZSI-UHFFFAOYSA-N