CAS No.951677-47-7,2-CHLORO-5-FLUOROPYRIDINE-4-BORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	951677-47-7
Name:	2-CHLORO-5-FLUOROPYRIDINE-4-BORONIC ACID

Formula:	C₅H₄BClFNO₂
Molecular Weight:	175.353163
Synonyms:	(2-Chloro-5-fluoropyridin-4-yl)boronic acid;2-Chloro-5-fluoropyridine-4-boronic acid;
Density:	1.51 g/cm³
Boiling Point:	334.4 °C at 760 mmHg
Flash Point:	156 °C
PSA:	53.35000
LogP:	-0.44610

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Specification

The 2-Chloro-5-fluoropyridine-4-boronic acid is an organic compound with the formula C₅H₄BClFNO₂. The IUPAC name of this chemical is (2-chloro-5-fluoropyridin-4-yl)boronic acid. With the CAS registry number 951677-47-7, it is also named as 2-Chloro-5-fluoropyridine-4-boronic acid. The product's categories are Heterocyclic Compounds; Boronic Acid.

The other characteristics of 2-Chloro-5-fluoropyridine-4-boronic acid can be summarized as: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.7; (4)#H bond acceptors: 3; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 53.35 Å²; (8)Index of Refraction: 1.533; (9)Molar Refractivity: 36.02 cm³; (10)Molar Volume: 116 cm³; (11)Polarizability: 14.28×10^-24 cm³; (12)Surface Tension: 52.1 dyne/cm; (13)Enthalpy of Vaporization: 60.94 kJ/mol; (14)Vapour Pressure: 5.06E-05 mmHg at 25°C; (15)Rotatable Bond Count: 1; (16)Exact Mass: 175.000765; (17)MonoIsotopic Mass: 175.000765; (18)Topological Polar Surface Area: 53.4; (19)Heavy Atom Count: 11; (20)Complexity: 140.

People can use the following data to convert to the molecule structure.
1. SMILES:OB(O)c1cc(Cl)ncc1F
2. InChI:InChI=1/C5H4BClFNO2/c7-5-1-3(6(10)11)4(8)2-9-5/h1-2,10-11H
3. InChIKey:JJHRCHRHBBOCGY-UHFFFAOYAU
4. Std. InChI:InChI=1S/C5H4BClFNO2/c7-5-1-3(6(10)11)4(8)2-9-5/h1-2,10-11H
5. Std. InChIKey:JJHRCHRHBBOCGY-UHFFFAOYSA-N