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Basic Information
CAS No.: 88982-82-5
Name: 4-BROMO-1,3-THIAZOLE-2-CARBOXYLIC ACID
Article Data: 10
Molecular Structure:
Molecular Structure of 88982-82-5 (4-BROMO-1,3-THIAZOLE-2-CARBOXYLIC ACID)
Formula: C4H2 Br N O2 S
Molecular Weight: 208.035
Synonyms: 4-Bromo-2-thiazolecarboxylicacid
Density: 2.062±0.06 g/cm3(Predicted)
Boiling Point: 372.5±34.0 °C(Predicted)
PSA: 78.43000
LogP: 1.60380
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Chemistry

Molecular Structure of 4-Bromo-1,3-thiazole-2-carboxylic acid (CAS NO.88982-82-5):

IUPAC Name: 4-Bromo-1,3-thiazole-2-carboxylic acid 
Molecular Formula: C4H2BrNO2S
Molecular Weight: 208.03 
XLogP3-AA: 1.8
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Exact Mass: 206.898962
MonoIsotopic Mass: 206.898962
Topological Polar Surface Area: 78.4
Heavy Atom Count: 9
Complexity: 132
Index of Refraction: 1.663
Molar Refractivity: 37.349 cm3
Molar Volume: 100.851 cm3
Surface Tension: 75.422 dyne/cm
Density: 2.063 g/cm3
Flash Point: 179.085 °C
Enthalpy of Vaporization: 65.372 kJ/mol
Boiling Point: 372.505 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
Canonical SMILES: C1=C(N=C(S1)C(=O)O)Br
InChI: InChI=1S/C4H2BrNO2S/c5-2-1-9-3(6-2)4(7)8/h1H,(H,7,8)
InChIKey: AYUAEJPYEJEHJN-UHFFFAOYSA-N

Specification

 4-Bromo-1,3-thiazole-2-carboxylic acid (CAS NO.88982-82-5), its Synonyms are 2-Thiazolecarboxylicacid, 4-bromo- ; 4-Bromo-2-thiazole carboxylic acid ; 4-Bromo-thiazole-2-carboxylic acid .