CAS No.850589-50-3,3-CHLORO-4-(PIPERIDINE-1-CARBONYL)PHENYLBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	850589-50-3
Name:	3-CHLORO-4-(PIPERIDINE-1-CARBONYL)PHENYLBORONIC ACID

Formula:	C₁₂H₁₅BClNO₃
Molecular Weight:	267.52
Synonyms:	Boronicacid, [3-chloro-4-(1-piperidinylcarbonyl)phenyl]- (9CI);[3-Chloro-4-(piperidin-1-ylcarbonyl)phenyl]boronic acid;3-Chloro-4-(piperidine-1-carbonyl)phenylboronic acid;
Density:	1.33 g/cm³
Melting Point:	160-163 °C
Boiling Point:	498.6 °C at 760 mmHg
Flash Point:	255.4 °C
Hazard Symbols:	Xi
PSA:	60.77000
LogP:	0.58380

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Specification

The Boronic acid,B-[3-chloro-4-(1-piperidinylcarbonyl)phenyl]-, with the CAS registry number 850589-50-3, is also known as [3-Chloro-4-(piperidin-1-ylcarbonyl)phenyl]boronic acid. It belongs to the product categories of Blocks; Boronic Acids; Carboxes. This chemical's molecular formula is C₁₂H₁₅BClNO₃ and molecular weight is 267.52. What's more, its systematic name is [3-chloro-4-(piperidine-1-carbonyl)phenyl]boronic acid.

Physical properties of Boronic acid,B-[3-chloro-4-(1-piperidinylcarbonyl)phenyl]- are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 1.46; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 60.77 Å²; (9)Index of Refraction: 1.589; (10)Molar Refractivity: 67.85 cm³; (11)Molar Volume: 201 cm³; (12)Polarizability: 26.89×10^-24cm³; (13)Surface Tension: 55.7 dyne/cm; (14)Density: 1.33 g/cm³; (15)Flash Point: 255.4 °C; (16)Enthalpy of Vaporization: 80.76 kJ/mol; (17)Boiling Point: 498.6 °C at 760 mmHg; (18)Vapour Pressure: 9.22E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(c(c1)Cl)C(=O)N2CCCCC2)(O)O
(2)InChI: InChI=1S/C12H15BClNO3/c14-11-8-9(13(17)18)4-5-10(11)12(16)15-6-2-1-3-7-15/h4-5,8,17-18H,1-3,6-7H2
(3)InChIKey: AQTGPCIHLDJZJF-UHFFFAOYSA-N