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113715-97-2 | Acetamide, N-[4-(2-bromoacetyl)-2-thiazolyl]-
CAS No: 113715-97-2 Catalog No: AG0009GO MDL No:
Product Description
Catalog Number:
AG0009GO
Chemical Name:
Acetamide, N-[4-(2-bromoacetyl)-2-thiazolyl]-
CAS Number:
113715-97-2
Molecular Formula:
C7H7BrN2O2S
Molecular Weight:
263.1117
IUPAC Name:
N-[4-(2-bromoacetyl)-1,3-thiazol-2-yl]acetamide
InChI:
InChI=1S/C7H7BrN2O2S/c1-4(11)9-7-10-5(3-13-7)6(12)2-8/h3H,2H2,1H3,(H,9,10,11)
InChI Key:
DGKBOBBYVYPZRJ-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1csc(n1)NC(=O)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.941g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.109g/mol
Monoisotopic Mass:
261.941g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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