CAS No.331834-13-0,BENZOFURAN-5-BORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	331834-13-0
Name:	BENZOFURAN-5-BORONIC ACID
Article Data:	9

Formula:	C₈H₇BO₃
Molecular Weight:	161.953
Synonyms:	Boronic acid, 5-benzofuranyl- (9CI);Benzofuran-5-ylboronicacid;
Density:	1.311 g/cm³
Boiling Point:	340.4 °C at 760 mmHg
Flash Point:	159.7 °C
Hazard Symbols:	C
PSA:	53.60000
LogP:	0.11260

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Specification

The Benzofuran-5-boronic acid with the CAS registry number of 3318-61-4.Other Registry Number is CB1488250. Its IUPAC name is 1-benzofuran-5-ylboronic acid. Molecular formula is C₈H₇BO₃and its formula weight is 161.95.

Physical properties about this chemical are: (1)ACD/LogP: 2.04; (2)ACD/LogD (pH 5.5): 2.04; (3) ACD/LogD (pH 7.4): 1.98; (4)ACD/BCF (pH 5.5): 20.91; (5) ACD/BCF(pH 7.4): 18.33; (6)ACD/KOC (pH 5.5): 306.56; (7) ACD/KOC (pH 7.4): 268.78; (8)#H bond acceptors: 3; (9) #H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11) Polar Surface Area: 31.6 Å2; (12)Index of Refraction: 1.618; (13)Molar Refractivity: 43.32 cm³; (14)Molar Volume: 123.5 cm³; (15) Polarizability: 17.17 ×10^-24cm³; (16)Surface Tension: 52 dyne/cm; (17) Density: 1.31 g/cm³; (18)Flash Point: 159.7 °C Enthalpy of Vaporization: 61.64 kJ/mol; (19)Boiling Point: 340.4°C at 760 mmHg Vapour Pressure: 3.33E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c2cc1c(occ1)cc2
(2)InChI: InChI=1/C8H7BO3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5,10-11H
(3)InChIKey: WYXQQAYIAJRORT-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H7BO3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5,10-11H
(5)Std. InChIKey: WYXQQAYIAJRORT-UHFFFAOYSA-N