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