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16443-97-3 | Acetamide, N-(5-bromo-4-formyl-2-thiazolyl)-
CAS No: 16443-97-3 Catalog No: AG001UWO MDL No:
Product Description
Catalog Number:
AG001UWO
Chemical Name:
Acetamide, N-(5-bromo-4-formyl-2-thiazolyl)-
CAS Number:
16443-97-3
Molecular Formula:
C6H5BrN2O2S
Molecular Weight:
249.0851
IUPAC Name:
N-(5-bromo-4-formyl-1,3-thiazol-2-yl)acetamide
InChI:
InChI=1S/C6H5BrN2O2S/c1-3(11)8-6-9-4(2-10)5(7)12-6/h2H,1H3,(H,8,9,11)
InChI Key:
GCMXRINJCZAAQN-UHFFFAOYSA-N
SMILES:
O=Cc1nc(sc1Br)NC(=O)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.926g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.082g/mol
Monoisotopic Mass:
247.926g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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