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208264-60-2 | 4-Thiazolecarboxylic acid, 2,5-dibromo-, ethyl ester
CAS No: 208264-60-2 Catalog No: AG002JM7 MDL No:MFCD09265487
Product Description
Catalog Number:
AG002JM7
Chemical Name:
4-Thiazolecarboxylic acid, 2,5-dibromo-, ethyl ester
CAS Number:
208264-60-2
Molecular Formula:
C6H5Br2NO2S
Molecular Weight:
314.9824
MDL Number:
MFCD09265487
IUPAC Name:
ethyl 2,5-dibromo-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C6H5Br2NO2S/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3
InChI Key:
SAEIBOLCDWLABF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc(sc1Br)Br
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.839g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.979g/mol
Monoisotopic Mass:
312.841g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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