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2-Furancarboxylic acid,5-(2-chlorophenyl)-

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Name

2-Furancarboxylic acid,5-(2-chlorophenyl)-

EINECS N/A
CAS No. 41019-43-6 Density 1.374 g/cm3
PSA 50.44000 LogP 3.29820
Solubility N/A Melting Point 167-168 °C(Solv: dichloromethane (75-09-2))
Formula C11H7ClO3 Boiling Point 376.3 °C at 760 mmHg
Molecular Weight 222.628 Flash Point 181.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 41019-43-6 (5-(2-CHLOROPHENYL)-2-FUROIC ACID) Hazard Symbols Xi
Synonyms

5-(2-Chlorophenyl)-2-furancarboxylicacid;5-(2-Chlorophenyl)-2-furoic acid;5-(o-Chlorophenyl)-2-furancarboxylic acid;

Article Data 22

2-Furancarboxylic acid,5-(2-chlorophenyl)- Specification

The CAS register number of 2-Furancarboxylic acid,5-(2-chlorophenyl)- is 41019-43-6. It also can be called as 5-(2-Chlorophenyl)-2-furoic acid and the systematic name about this chemical is 5-(2-chlorophenyl)furan-2-carboxylic acid. The molecular formula about this chemical is C11H7ClO3 and the molecular weight is 222.62.

Physical properties about 2-Furancarboxylic acid,5-(2-chlorophenyl)- are: (1)ACD/LogP: 3.09; (2)ACD/LogD (pH 5.5): 0.66; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 4.29; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 39.44Å2; (11)Index of Refraction: 1.594; (12)Molar Refractivity: 54.96 cm3; (13)Molar Volume: 161.9 cm3; (14)Polarizability: 21.79x10-24cm3; (15)Surface Tension: 50.8 dyne/cm; (16)Flash Point: 181.4 °C; (17)Enthalpy of Vaporization: 65.81 kJ/mol; (18)Boiling Point: 376.3 °C at 760 mmHg; (19)Vapour Pressure: 2.49E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2oc(c1c(Cl)cccc1)cc2
(2)InChI: InChI=1/C11H7ClO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
(3)InChIKey: PJGGWIHXGHQXMM-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C11H7ClO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
(5)Std. InChIKey: PJGGWIHXGHQXMM-UHFFFAOYSA-N

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