CAS No.236389-21-2,Boronic acid, B-9,9'-spirobi[9H-fluoren]-2'-yl- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	236389-21-2
Name:	Boronic acid, B-9,9'-spirobi[9H-fluoren]-2'-yl-
Article Data:	10

Formula:	C₂₅H₁₇BO₂
Molecular Weight:	360.22
Synonyms:	Boronicacid, 9,9'-spirobi[9H-fluoren]-2-yl- (9CI);Spiro-9,9'-bifluorene-2-boronicacid;
EINECS:	678-491-1
Density:	1.37 g/cm³
Melting Point:	>200°C
Boiling Point:	588.365 °C at 760 mmHg
Flash Point:	309.632 °C
PSA:	40.46000
LogP:	3.70990

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Specification

The CAS register number of B-9,9'-Spirobi[9H-fluoren]-2'-yl-boronic acid is 236389-21-2. It also can be called as Boronic acid,B-9,9'-spirobi[9H-fluoren]-2-yl- and the systematic name about this chemical is 9,9'-spirobi[fluoren]-2-ylboronic acid. The molecular formula about this chemical is C₂₅H₁₇BO₂and the molecular weight is 360.21.

Physical properties about B-9,9'-Spirobi[9H-fluoren]-2'-yl-boronic acid are: (1)ACD/LogP: 6.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 16825; (6)ACD/BCF (pH 7.4): 14933; (7)ACD/KOC (pH 5.5): 36840; (8)ACD/KOC (pH 7.4): 32699; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.46Å²; (13)Index of Refraction: 1.758; (14)Molar Refractivity: 107.949 cm³; (15)Molar Volume: 262.921 cm³; (16)Polarizability: 42.794x10^-24cm³; (17)Surface Tension: 70.429 dyne/cm; (18)Enthalpy of Vaporization: 92.375 kJ/mol; (19)Boiling Point: 588.365 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c2ccc3c1ccccc1C6(c3c2)c4ccccc4c5ccccc56
(2)InChI: InChI=1/C25H17BO2/c27-26(28)16-13-14-20-19-9-3-6-12-23(19)25(24(20)15-16)21-10-4-1-7-17(21)18-8-2-5-11-22(18)25/h1-15,27-28H
(3)InChIKey: WDDLHUWVLROJLA-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C25H17BO2/c27-26(28)16-13-14-20-19-9-3-6-12-23(19)25(24(20)15-16)21-10-4-1-7-17(21)18-8-2-5-11-22(18)25/h1-15,27-28H
(5)Std. InChIKey: WDDLHUWVLROJLA-UHFFFAOYSA-N