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128014-67-5 | 4-Thiazolecarboxylic acid, 2-(acetylamino)-5-bromo-, ethyl ester
CAS No: 128014-67-5 Catalog No: AG000XOT MDL No:
Product Description
Catalog Number:
AG000XOT
Chemical Name:
4-Thiazolecarboxylic acid, 2-(acetylamino)-5-bromo-, ethyl ester
CAS Number:
128014-67-5
Molecular Formula:
C8H9BrN2O3S
Molecular Weight:
293.1377
IUPAC Name:
ethyl 2-acetamido-5-bromo-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C8H9BrN2O3S/c1-3-14-7(13)5-6(9)15-8(11-5)10-4(2)12/h3H2,1-2H3,(H,10,11,12)
InChI Key:
BCQWLNQTNRKPFQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc(sc1Br)NC(=O)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.952g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.135g/mol
Monoisotopic Mass:
291.952g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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