CAS No.153035-56-4,(4'-Propyl[1,1'-biphenyl]-4-yl)-boronic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	153035-56-4
Name:	(4'-Propyl[1,1'-biphenyl]-4-yl)-boronic acid
Article Data:	4

Formula:	C₁₅H₁₇BO₂
Molecular Weight:	240.11
Synonyms:	Boronic acid, (4'-propyl[1,1'-biphenyl]-4-yl)- (9CI);
Density:	1.113 g/cm³
Boiling Point:	413.098 °C at 760 mmHg
Flash Point:	203.634 °C
Appearance:	off-white solid
PSA:	40.46000
LogP:	1.98590

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Specification

The (4'-Propyl-1,1'-biphenyl-4-yl)boronic acid, with the CAS registry number 153035-56-4, is also known as Boronic acid, (4'-propyl[1,1'-biphenyl]-4-yl)- (9CI). This chemical's molecular formula is C₁₅H₁₇BO₂ and molecular weight is 240.11. What's more, its systematic name is (4'-Propyl-4-biphenylyl)boronic acid.

Physical properties of (4'-Propyl-1,1'-biphenyl-4-yl)boronic acid are: (1)ACD/LogP: 4.869; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.87; (4)ACD/LogD (pH 7.4): 4.84; (5)ACD/BCF (pH 5.5): 2954.24; (6)ACD/BCF (pH 7.4): 2784.67; (7)ACD/KOC (pH 5.5): 10608.26; (8)ACD/KOC (pH 7.4): 9999.35; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 71.88 cm³; (15)Molar Volume: 215.707 cm³; (16)Polarizability: 28.495×10^-24cm³; (17)Surface Tension: 46.1 dyne/cm; (18)Density: 1.113 g/cm³; (19)Flash Point: 203.634 °C; (20)Enthalpy of Vaporization: 70.203 kJ/mol; (21)Boiling Point: 413.098 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCc1ccc(cc1)c2ccc(cc2)B(O)O
(2)Std. InChI: InChI=1S/C15H17BO2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h4-11,17-18H,2-3H2,1H3
(3)Std. InChIKey: NOQFUISBLHCDSR-UHFFFAOYSA-N