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162651-08-3 | 5-Thiazolecarboxylic acid, 2-bromo-4-ethyl-
CAS No: 162651-08-3 Catalog No: AG001TAZ MDL No:MFCD28041027
Product Description
Catalog Number:
AG001TAZ
Chemical Name:
5-Thiazolecarboxylic acid, 2-bromo-4-ethyl-
CAS Number:
162651-08-3
Molecular Formula:
C6H6BrNO2S
Molecular Weight:
236.0863
MDL Number:
MFCD28041027
IUPAC Name:
2-bromo-4-ethyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C6H6BrNO2S/c1-2-3-4(5(9)10)11-6(7)8-3/h2H2,1H3,(H,9,10)
InChI Key:
UJAWSAVHFAQCOQ-UHFFFAOYSA-N
SMILES:
CCc1nc(sc1C(=O)O)Br
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.93g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.083g/mol
Monoisotopic Mass:
234.93g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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