CAS No.156642-03-4,4'-METHOXYBIPHENYLBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	156642-03-4
Name:	4'-METHOXYBIPHENYLBORONIC ACID
Article Data:	2

Formula:	C₁₃H₁₃BO₃
Molecular Weight:	228.055
Synonyms:	Boronicacid, (4'-methoxy[1,1'-biphenyl]-4-yl)- (9CI);(4'-Methoxy-4-biphenyl)boronicacid;4'-Methoxy-1,1'-biphenyl-4-boronic acid;[4-(4-Methoxyphenyl)phenyl]boronic acid;
Density:	1.205 g/cm³
Melting Point:	209-211°C
Boiling Point:	418.616 °C at 760 mmHg
Flash Point:	206.972 °C
Hazard Symbols:	Xi
PSA:	49.69000
LogP:	1.04200

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Specification

The 4'-Methoxy-4-biphenylboronic acid, with CAS registry number 156642-03-4, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of (4'-methoxybiphenyl-4-yl)boronic acid. And the chemical formula of this chemical is C₁₃H₁₃BO₃.

Physical properties of 4'-Methoxy-4-biphenylboronic acid: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 3.13; (5)ACD/BCF (pH 5.5): 148.85; (6)ACD/BCF (pH 7.4): 138.46; (7)ACD/KOC (pH 5.5): 1249.5; (8)ACD/KOC (pH 7.4): 1162.35; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 64.35 cm³; (15)Molar Volume: 189.2 cm³; (16)Polarizability: 25.51×10^-24cm³; (17)Surface Tension: 49.6 dyne/cm; (18)Density: 1.2 g/cm³; (19)Flash Point: 207 °C; (20)Enthalpy of Vaporization: 70.87 kJ/mol; (21)Boiling Point: 418.6 °C at 760 mmHg; (22)Vapour Pressure: 9.33E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c2ccc(c1ccc(B(O)O)cc1)cc2)C
(2)InChI: InChI=1/C13H13BO3/c1-17-13-8-4-11(5-9-13)10-2-6-12(7-3-10)14(15)16/h2-9,15-16H,1H3
(3)InChIKey: VIHQQLWZRRVBNE-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C13H13BO3/c1-17-13-8-4-11(5-9-13)10-2-6-12(7-3-10)14(15)16/h2-9,15-16H,1H3
(5)Std. InChIKey: VIHQQLWZRRVBNE-UHFFFAOYSA-N