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282528-62-5

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Basic Information
CAS No.: 282528-62-5
Name: 5-CHLORO-1H-INDOLE-2-BORONIC ACID
Molecular Structure:
Molecular Structure of 282528-62-5 (5-CHLORO-1H-INDOLE-2-BORONIC ACID)
Formula: C8H7BClNO2
Molecular Weight: 195.41
Synonyms: 5-Chloro-1H-indole-2-boronic acid;
Density: 1.47 g/cm3
Boiling Point: 462.7 °C at 760 mmHg
Flash Point: 233.6 °C
PSA: 56.25000
LogP: 0.50110
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Specification

The Boronic acid,(5-chloro-1H-indol-2-yl)- (9CI), with the CAS registry number 282528-62-5, is also known as 5-Chloro-1H-indole-2-boronic acid. This chemical's molecular formula is C8H7BClNO2 and molecular weight is 195.4107. What's more, its systematic name is (5-Chloro-1H-indol-2-yl)boronic acid.

Physical properties about Boronic acid,(5-chloro-1H-indol-2-yl)- (9CI) are: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.3; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 32.87; (6)ACD/BCF (pH 7.4): 32.72; (7)ACD/KOC (pH 5.5): 423.99; (8)ACD/KOC (pH 7.4): 422; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 23.39 Å2; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 49.59 cm3; (15)Molar Volume: 132 cm3; (16)Polarizability: 19.66×10-24 cm3; (17)Surface Tension: 65.1 dyne/cm; (18)Density: 1.47 g/cm3; (19)Flash Point: 233.6 °C; (20)Enthalpy of Vaporization: 76.26 kJ/mol; (21)Boiling Point: 462.7 °C at 760 mmHg; (22)Vapour Pressure: 2.33E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc2c(cc1)nc(c2)B(O)O
(2) InChI: InChI=1/C8H7BClNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11-13H
(3) InChIKey: IDVLNSZYFCBHNS-UHFFFAOYAY