Name: 3-CARBOXY-4-CHLOROBENZENEBORONIC ACID
SKU: 913835-32-2

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Basic Information

Molecular Structure:
CAS No.:	913835-32-2
Name:	3-CARBOXY-4-CHLOROBENZENEBORONIC ACID

Formula:	C₇H₆BClO₄
Molecular Weight:	200.386
Synonyms:	3-Carboxy-4-Chlorophenylboronic acid;
Density:	1.552g/cm³
Melting Point:	223-225°C
Boiling Point:	438.025 °C at 760 mmHg
Flash Point:	218.71 °C
Hazard Symbols:	Xi
PSA:	77.76000
LogP:	-0.28200

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Specification

The Benzoicacid, 5-borono-2-chloro-, with CAS registry number 913835-32-2, belongs to the following product categories: (1)Blocks; (2)Boronic Acids; (3)Carboxes. It has the systematic name of 2-chloro-5-(dihydroxyboranyl)benzoic acid. This chemical should be kept cold. And the chemical formula of this chemical is C₇H₆BClO₄.

Physical properties of Benzoicacid, 5-borono-2-chloro-: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 77.76 Å²; (11)Index of Refraction: 1.604; (12)Molar Refractivity: 44.392 cm³; (13)Molar Volume: 129.114 cm³; (14)Polarizability: 17.598×10^-24cm³; (15)Surface Tension: 66.936 dyne/cm; (16)Enthalpy of Vaporization: 73.226 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(ccc1Cl)B(O)O
(2)InChI: InChI=1/C7H6BClO4/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,12-13H,(H,10,11)
(3)InChIKey: RHIXAJHFXGTSAL-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C7H6BClO4/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,12-13H,(H,10,11)
(5)Std. InChIKey: RHIXAJHFXGTSAL-UHFFFAOYSA-N