CAS No.737001-07-9,3-Hydroxy-5-nitrophenylboronic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	737001-07-9
Name:	3-Hydroxy-5-nitrophenylboronic acid

Formula:	C₆H₆BNO₅
Molecular Weight:	182.9265
Synonyms:	Boronic acid, B-(3-hydroxy-5-nitrophenyl)-;
Density:	1.572 g/cm³
Boiling Point:	454.289 °C at 760 mmHg
Flash Point:	228.546 °C
PSA:	106.51000
LogP:	-0.49660

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Specification

The 3-Hydroxy-5-nitrophenylboronic acid, with the CAS registry number 737001-07-9, is also known as Boronic acid, B-(3-hydroxy-5-nitrophenyl)-. This chemical's molecular formula is C₆H₆BNO₅ and molecular weight is 182.9265. What's more, its systematic name is called (3-Hydroxy-5-nitro-phenyl)boronic acid.

Physical properties about 3-Hydroxy-5-nitrophenylboronic acid are: (1)ACD/LogP: 0.96; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.94; (4)ACD/LogD (pH 7.4): 0.277; (5)ACD/BCF (pH 5.5): 3.023; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 75.964; (8)ACD/KOC (pH 7.4): 16.502; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 106.51 Å²; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 40.85 cm³; (15)Molar Volume: 116.353 cm³; (16)Polarizability: 16.194×10^-24cm³; (17)Surface Tension: 76.4 dyne/cm; (18)Density: 1.572 g/cm³; (19)Flash Point: 228.546 °C; (20)Enthalpy of Vaporization: 75.222 kJ/mol; (21)Boiling Point: 454.289 °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(c1cc(cc(c1)O)[N+](=O)[O-])(O)O
(2) InChI: InChI=1/C6H6BNO5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9-11H
(3) InChIKey: UWOUWIYCKIKPFP-UHFFFAOYAC