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3-Thiophenecarboxylicacid, 2-chloro-5-methyl-

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Name

3-Thiophenecarboxylicacid, 2-chloro-5-methyl-

EINECS N/A
CAS No. 54494-61-0 Density 1.475 g/cm3
PSA 65.54000 LogP 2.40810
Solubility N/A Melting Point N/A
Formula C6H5ClO2S Boiling Point 291.2 °C at 760 mmHg
Molecular Weight 176.624 Flash Point 129.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 54494-61-0 (2-CHLORO-5-METHYLTHIOPHENE-3-CARBOXYLIC ACID) Hazard Symbols N/A
Synonyms

2-Chloro-5-methylthiophene-3-carboxylic acid;

Article Data 2

3-Thiophenecarboxylicacid, 2-chloro-5-methyl- Specification

The CAS registry number of 3-Thiophenecarboxylicacid, 2-chloro-5-methyl- is 54494-61-0. It belongs to the product categories of Thiophene & Benzothiophene; Miscellaneous. This chemical's molecular formula is C6H5ClO2S and molecular weight is 176.62. What's more, its systematic name is called 2-Chloro-5-methylthiophene-3-carboxylic acid.

Physical properties about 3-Thiophenecarboxylicacid, 2-chloro-5-methyl- are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.5; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.91; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 65.54 Å2; (12)Index of Refraction: 1.606; (13)Molar Refractivity: 41.28 cm3; (14)Molar Volume: 119.6 cm3; (15)Surface Tension: 55.1 dyne/cm; (16)Density: 1.475 g/cm3; (17)Flash Point: 129.9 °C; (18)Enthalpy of Vaporization: 56.04 kJ/mol; (19)Boiling Point: 291.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000906 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(C(=O)O)c(Cl)s1
(2) InChI: InChI=1/C6H5ClO2S/c1-3-2-4(6(8)9)5(7)10-3/h2H,1H3,(H,8,9)
(3) InChIKey: MUQQZXLAGBQFRY-UHFFFAOYAB

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