CAS No.850589-49-0,3-CHLORO-4-(MORPHOLINE-4-CARBONYL)BENZENEBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	850589-49-0
Name:	3-CHLORO-4-(MORPHOLINE-4-CARBONYL)BENZENEBORONIC ACID

Formula:	C₁₁H₁₃BClNO₄
Molecular Weight:	269.493
Synonyms:	Boronicacid, [3-chloro-4-(4-morpholinylcarbonyl)phenyl]- (9CI);[3-Chloro-4-(morpholin-4-ylcarbonyl)phenyl]boronic acid;(4-Borono-2-chlorophenyl)(morpholin-4-yl)methanone;
Density:	1.41 g/cm³
Melting Point:	182-186 °C
Boiling Point:	524.9 °C at 760 mmHg
Flash Point:	271.3 °C
Hazard Symbols:	Xi
PSA:	70.00000
LogP:	-0.56990

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Specification

The Boronic acid,B-[3-chloro-4-(4-morpholinylcarbonyl)phenyl]-, with the CAS registry number 850589-49-0, is also known as (4-Borono-2-chlorophenyl)(morpholin-4-yl)methanone. It belongs to the product categories of Blocks; Boronic Acids; Carboxes. This chemical's molecular formula is C₁₁H₁₃BClNO₄ and molecular weight is 269.49. What's more, its systematic name is [3-chloro-4-(morpholine-4-carbonyl)phenyl]boronic acid.

Physical properties of Boronic acid,B-[3-chloro-4-(4-morpholinylcarbonyl)phenyl]- are: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.36; (4)#H bond acceptors: 5; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 4; (7)Polar Surface Area: 70 Å²; (8)Index of Refraction: 1.595; (9)Molar Refractivity: 64.96 cm³; (10)Molar Volume: 190.9 cm³; (11)Polarizability: 25.75×10^-24cm³; (12)Surface Tension: 59.2 dyne/cm; (13)Density: 1.41 g/cm³; (14)Flash Point: 271.3 °C; (15)Enthalpy of Vaporization: 84.1 kJ/mol; (16)Boiling Point: 524.9 °C at 760 mmHg; (17)Vapour Pressure: 7.57E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(c(c1)Cl)C(=O)N2CCOCC2)(O)O
(2)InChI: InChI=1S/C11H13BClNO4/c13-10-7-8(12(16)17)1-2-9(10)11(15)14-3-5-18-6-4-14/h1-2,7,16-17H,3-6H2
(3)InChIKey: HPRBSCDTOODIQX-UHFFFAOYSA-N