CAS No.873566-75-7,3-Amino-4-fluorophenylboronic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	873566-75-7
Name:	3-Amino-4-fluorophenylboronic acid
Article Data:	2

Formula:	C₆H₇BFNO₂
Molecular Weight:	154.936
Synonyms:	Boronicacid, (3-amino-4-fluorophenyl)- (9CI);3-Amino-4-fluorophenylboronic acid;
Density:	1.343 g/cm³
Boiling Point:	345.974 °C at 760 mmHg
Flash Point:	163.04 °C
Hazard Symbols:	Xi
Risk Codes:	22
PSA:	66.48000
LogP:	-0.33110

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Specification

This chemical is called Boronic acid, B-(3-amino-4-fluorophenyl)-, and its systematic name is (3-Amino-4-fluorophenyl)boronic acid. With the molecular formula of C₆H₇BFNO₂, its molecular weight is 154.94. The CAS registry number of this chemical is 873566-75-7.

Other characteristics of the Boronic acid, B-(3-amino-4-fluorophenyl)- can be summarised as followings: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 53; (8)ACD/KOC (pH 7.4): 46; (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: 1.555; (14)Molar Refractivity: 37.019 cm³; (15)Molar Volume: 115.375 cm³; (16)Polarizability: 14.675×10^-24cm³; (17)Surface Tension: 50.137 dyne/cm; (18)Density: 1.343 g/cm³; (19)Flash Point: 163.04 °C; (20)Enthalpy of Vaporization: 62.276 kJ/mol; (21)Boiling Point: 345.974 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Fc1ccc(cc1N)B(O)O
2.InChI: InChI=1/C6H7BFNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H,9H2
3.InChIKey: SYBMNJPUZMUPGQ-UHFFFAOYAR