CAS No.139669-96-8,5-Thiazolecarboxylic acid, 2,4-dibromo- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	139669-96-8
Name:	5-Thiazolecarboxylic acid, 2,4-dibromo-
Article Data:	3

Formula:	C₄HBr₂NO₂S
Molecular Weight:	286.93
Synonyms:	2,4-Dibromo-5-thiazolecarboxylic acid;
Density:	2.452 g/cm³
Boiling Point:	387.148 °C at 760 mmHg
Flash Point:	187.941 °C
PSA:	78.43000
LogP:	2.36630

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Specification

This chemical is called 5-Thiazolecarboxylic acid, 2,4-dibromo-, and its systematic name is 2,4-Dibromo-1,3-thiazole-5-carboxylic acid. With the molecular formula of C₄HBr₂NO₂S, its molecular weight is 286.93. The CAS registry number of this chemical is 139669-96-8.

Other characteristics of the 5-Thiazolecarboxylic acid, 2,4-dibromo- can be summarised as followings: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 78.43 Å²; (11)Index of Refraction: 1.696; (12)Molar Refractivity: 45.03 cm³; (13)Molar Volume: 117 cm³; (14)Polarizability: 17.85×10^-24cm³; (15)Surface Tension: 77.9 dyne/cm; (16)Density: 2.451 g/cm³; (17)Flash Point: 187.9 °C; (18)Enthalpy of Vaporization: 67.1 kJ/mol; (19)Boiling Point: 387.1 °C at 760 mmHg; (20)Vapour Pressure: 1.1E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: c1(c(nc(s1)Br)Br)C(=O)O
2.InChI: InChI=1/C4HBr2NO2S/c5-2-1(3(8)9)10-4(6)7-2/h(H,8,9)
3.InChIKey: VHMOYJYPQAAQJZ-UHFFFAOYAJ