Name: (4'-Butyl[1,1'-biphenyl]-4-yl)-boronic acid
SKU: 145413-17-8

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Basic Information

Molecular Structure:
CAS No.:	145413-17-8
Name:	(4'-Butyl[1,1'-biphenyl]-4-yl)-boronic acid

Formula:	C₁₆H₁₉BO₂
Molecular Weight:	254.137
Synonyms:	(4'-Butyl[1,1'-biphenyl]-4-yl)-boronic acid;Boronic acid, (4'-butyl[1,1'-biphenyl]-4-yl)- (9CI);
Density:	1.095 g/cm³
Melting Point:	157 °C
Boiling Point:	424.697 °C at 760 mmHg
Flash Point:	210.65 °C
PSA:	40.46000
LogP:	2.37600

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Specification

The B-(4'-Butyl[1,1'-biphenyl]-4-yl)boronic acid, with the CAS registry number 145413-17-8, is also known as (4'-Butyl[1,1'-biphenyl]-4-yl)-boronic acid. This chemical's molecular formula is C₁₆H₁₉BO₂ and molecular weight is 254.13. What's more, its systematic name is (4'-Butyl-4-biphenylyl)boronic acid.

Physical properties of B-(4'-Butyl[1,1'-biphenyl]-4-yl)boronic acid are: (1)ACD/LogP: 5.401; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.40; (4)ACD/LogD (pH 7.4): 5.38; (5)ACD/BCF (pH 5.5): 7486.34; (6)ACD/BCF (pH 7.4): 7055.16; (7)ACD/KOC (pH 5.5): 20639.39; (8)ACD/KOC (pH 7.4): 19450.63; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 76.511 cm³; (15)Molar Volume: 231.989 cm³; (16)Polarizability: 30.331×10^-24cm³; (17)Surface Tension: 45.4 dyne/cm; (18)Density: 1.095 g/cm³; (19)Flash Point: 210.65 °C; (20)Enthalpy of Vaporization: 71.604 kJ/mol; (21)Boiling Point: 424.697 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)c2ccc(cc2)CCCC)(O)O
(2)Std. InChI: InChI=1S/C16H19BO2/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19/h5-12,18-19H,2-4H2,1H3
(3)Std. InChIKey: DKCMBSJGEAEGOE-UHFFFAOYSA-N