CAS No.481681-02-1,4-FLUORO-3-(HYDROXYMETHYL)BENZENEBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	481681-02-1
Name:	4-FLUORO-3-(HYDROXYMETHYL)BENZENEBORONIC ACID
Article Data:	4

Formula:	C₇H₈BFO₃
Molecular Weight:	169.948
Synonyms:	Boronicacid, [4-fluoro-3-(hydroxymethyl)phenyl]- (9CI);4-Fluoro-3-hydroxymethylphenylboronicacid;
Density:	1.353 g/cm³
Melting Point:	124-126 °C
Boiling Point:	365.782 °C at 760 mmHg
Flash Point:	175.019 °C
Hazard Symbols:	Xi
PSA:	60.69000
LogP:	-1.00220

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Specification

This chemical is called [4-Fluoro-3-(hydroxymethyl)phenyl]boronic acid. With the molecular formula of C₇H₈BFO₃, its molecular weight is 169.95. The CAS registry number of this chemical is 481681-02-1. Additionally, its product categories are Blocks; Boronic Acids.

Other characteristics of the [4-Fluoro-3-(hydroxymethyl)phenyl]boronic acid can be summarised as followings: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 42; (8)ACD/KOC (pH 7.4): 39; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 60.69 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 39.561 cm³; (15)Molar Volume: 125.634 cm³; (16)Polarizability: 15.683×10^-24cm³; (17)Surface Tension: 50.164 dyne/cm; (18)Density: 1.353 g/cm³; (19)Flash Point: 175.019 °C; (20)Enthalpy of Vaporization: 64.582 kJ/mol; (21)Boiling Point: 365.782 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: OCc1cc(ccc1F)B(O)O
2.InChI: InChI=1/C7H8BFO3/c9-7-2-1-6(8(11)12)3-5(7)4-10/h1-3,10-12H,4H2
3.InChIKey: PWMOQHMTXJYUGE-UHFFFAOYAW