CAS No.121554-18-5,(4'-Pentyl[1,1'-biphenyl]-4-yl)-boronic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	121554-18-5
Name:	(4'-Pentyl[1,1'-biphenyl]-4-yl)-boronic acid
Article Data:	4

Formula:	C₁₇H₂₁BO₂
Molecular Weight:	268.164
Synonyms:	Boronic acid, (4'-pentyl[1,1'-biphenyl]-4-yl)- (9CI);
Density:	1.08 g/cm³
Boiling Point:	436.444 °C at 760 mmHg
Flash Point:	217.754 °C
Appearance:	off-white solid
PSA:	40.46000
LogP:	2.76610

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Specification

The (4'-Pentyl[1,1'-biphenyl]-4-yl)-boronic acid, with the CAS registry number 121554-18-5, is also known as Boronic acid, (4'-pentyl[1,1'-biphenyl]-4-yl)- (9CI). This chemical's molecular formula is C₁₇H₂₁BO₂ and molecular weight is 268.16. What's more, its systematic name is (4'-Pentyl-4-biphenylyl)boronic acid.

Physical properties of (4'-Pentyl[1,1'-biphenyl]-4-yl)-boronic acid are: (1)ACD/LogP: 5.732; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.73; (4)ACD/LogD (pH 7.4): 5.71; (5)ACD/BCF (pH 5.5): 13369.34; (6)ACD/BCF (pH 7.4): 12595.94; (7)ACD/KOC (pH 5.5): 31258.01; (8)ACD/KOC (pH 7.4): 29449.77; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 81.142 cm³; (15)Molar Volume: 248.252 cm³; (16)Polarizability: 32.167×10^-24cm³; (17)Surface Tension: 44.8 dyne/cm; (18)Density: 1.08 g/cm³; (19)Flash Point: 217.754 °C; (20)Enthalpy of Vaporization: 73.033 kJ/mol; (21)Boiling Point: 436.444 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1ccc(cc1)c2ccc(CCCCC)cc2
(2)Std. InChI: InChI=1S/C17H21BO2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h6-13,19-20H,2-5H2,1H3
(3)Std. InChIKey: QRZCEXCQSFQDMG-UHFFFAOYSA-N