3-Bromo-5-methylthiophene-2-carboxylicacid
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3-Bromo-5-methylthiophene-2-carboxylicacid
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CAS No:
61285-29-8
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Formula:
C6H5BrO2S
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Chemical Name:
3-Bromo-5-methylthiophene-2-carboxylicacid
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Synonyms:
3-Bromo-5-methylthiophene-2-carboxylic acid;2-Thiophenecarboxylic acid, 3-bromo-5-methyl-
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CAS No:
3-Bromo-5-methylthiophene-2-carboxylicacid Basic Attributes
221.07
219.91936 g/mol
DTXSID10356000
2934999090
Characteristics
65.54000
2.51720
1.784±0.06 g/cm3
205-206 °C(Solv: ethanol (64-17-5); water (7732-18-5))
314.5±42.0 °C(Predicted)
3.30±0.10
Computed Properties
Molecular Weight:221.07
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:219.91936
Monoisotopic Mass:219.91936
Topological Polar Surface Area:65.5
Heavy Atom Count:10
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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