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3-Thiophenecarboxylicacid, 5-chloro- (36157-42-3)

Identification
Name:3-Thiophenecarboxylicacid, 5-chloro-
Synonyms:5-Chlorothiophene-3-carboxylicacid;
CAS:36157-42-3
Molecular Formula: C5H3ClO2S
Molecular Weight: 162.59
InChI: InChI=1/C5H3ClO2S/c6-4-1-3(2-9-4)5(7)8/h1-2H,(H,7,8)
Molecular Structure: (C5H3ClO2S) 5-Chlorothiophene-3-carboxylicacid;
Properties
Density:1.572 g/cm3
Refractive index:1.623
Specification:

The 5-Chlorothiophene-3-carboxylic acid with the CAS number 36157-42-3 is also called 3-Thiophenecarboxylicacid, 5-chloro-. Its molecular formula is C5H3ClO2S. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.89; (4)ACD/LogD (pH 7.4):  ; (5)ACD/BCF (pH 5.5): 1.11; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.53; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.54 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 36.46 cm3; (15)Molar Volume: 103.3 cm3; (16)Polarizability: 14.45×10-24cm3; (17)Surface Tension: 60.5 dyne/cm; (18)Enthalpy of Vaporization: 55.57 kJ/mol; (19)Vapour Pressure: 0.00119 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1csc(Cl)c1
(2)InChI: InChI=1/C5H3ClO2S/c6-4-1-3(2-9-4)5(7)8/h1-2H,(H,7,8)
(3)InChIKey: POVPYUUZOZBLOH-UHFFFAOYAT

Safety Data