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55462-54-9

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Basic Information
CAS No.: 55462-54-9
Name: 5-(2,3-DICHLOROPHENYL)-2-FUROIC ACID
Molecular Structure:
Molecular Structure of 55462-54-9 (5-(2,3-DICHLOROPHENYL)-2-FUROIC ACID)
Formula: C11H6Cl2O3
Molecular Weight: 257.073
Synonyms: 5-(2,3-Dichlorophenyl)-2-furoic acid;
Density: 1.477 g/cm3
Boiling Point: 407.4 °C at 760 mmHg
Flash Point: 200.2 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 50.44000
LogP: 3.95160
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Specification

The 2-Furancarboxylic acid, 5-(2, 3-dichlorophenyl)-, with the CAS registry number 55462-54-9, is also known as 5-(2, 3-Dichlorophenyl)-2-furoic acid. This chemical's molecular formula is C11H6Cl2O3 and molecular weight is 257.07. What's more, its systematic name is 5-(2, 3-Dichlorophenyl)furan-2-carboxylic acid.

Physical properties about 2-Furancarboxylic acid, 5-(2, 3-dichlorophenyl)- are: (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): 0.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.54; (8)ACD/KOC (pH 7.4): 1.45; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.44 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 59.86 cm3; (15)Molar Volume: 173.9 cm3; (16)Polarizability: 23.73×10-24 cm3; (17)Surface Tension: 52.6 dyne/cm; (18)Density: 1.477 g/cm3; (19)Flash Point: 200.2 °C; (20)Enthalpy of Vaporization: 69.52 kJ/mol; (21)Boiling Point: 407.4 °C at 760 mmHg; (22)Vapour Pressure: 2.28E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c2oc(c1c(Cl)c(Cl)ccc1)cc2
(2) InChI: InChI=1/C11H6Cl2O3/c12-7-3-1-2-6(10(7)13)8-4-5-9(16-8)11(14)15/h1-5H,(H,14,15)
(3) InChIKey: BSMKDXIJGSTBNT-UHFFFAOYAJ