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CAS No.: | 41019-44-7 |
---|---|
Name: | 5-(3-CHLORO-PHENYL)-FURAN-2-CARBOXYLIC ACID |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C11H7ClO3 |
Molecular Weight: | 222.628 |
Synonyms: | 5-(3-Chlorophenyl)-2-furancarboxylicacid;5-(3-Chlorophenyl)-2-furoic acid;5-(m-Chlorophenyl)-2-furancarboxylicacid; |
Density: | 1.374 g/cm3 |
Boiling Point: | 398.6 °C at 760 mmHg |
Flash Point: | 194.9 °C |
Hazard Symbols: | Xi |
PSA: | 50.44000 |
LogP: | 3.29820 |
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The 2-Furancarboxylicacid, 5-(3-chlorophenyl)- is an organic compound with the formula C11H7ClO3. The systematic name of this chemical is 5-(3-chlorophenyl)furan-2-carboxylic acid. With the CAS registry number 41019-44-7, it is also named as 5-(3-Chlorophenyl)-2-furoic acid.
Physical properties about 2-Furancarboxylicacid, 5-(3-chlorophenyl)- are: (1)ACD/LogP: 3.17; (2)ACD/LogD (pH 5.5): 0.78; (3)ACD/LogD (pH 7.4): 0.05; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.12; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 39.44 Å2; (12)Index of Refraction: 1.594; (13)Molar Refractivity: 54.96 cm3; (14)Molar Volume: 161.9 cm3; (15)Polarizability: 21.79×10-24cm3; (16)Surface Tension: 50.8 dyne/cm; (17)Density: 1.374 g/cm3; (18)Flash Point: 194.9 °C; (19)Enthalpy of Vaporization: 68.46 kJ/mol; (20)Boiling Point: 398.6 °C at 760 mmHg; (21)Vapour Pressure: 4.55E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2oc(c1cc(Cl)ccc1)cc2
(2)InChI: InChI=1/C11H7ClO3/c12-8-3-1-2-7(6-8)9-4-5-10(15-9)11(13)14/h1-6H,(H,13,14)
(3)InChIKey: OWEBZHHXEPQWQW-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C11H7ClO3/c12-8-3-1-2-7(6-8)9-4-5-10(15-9)11(13)14/h1-6H,(H,13,14)
(5)Std. InChIKey: OWEBZHHXEPQWQW-UHFFFAOYSA-N