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100953-58-0

100953-58-0 | Acetamide, N-[5-bromo-4-(4-methoxyphenyl)-2-thiazolyl]-

CAS No: 100953-58-0 Catalog No: AG0003B0 MDL No:

Product Description

Catalog Number:
AG0003B0
Chemical Name:
Acetamide, N-[5-bromo-4-(4-methoxyphenyl)-2-thiazolyl]-
CAS Number:
100953-58-0
Molecular Formula:
C12H11BrN2O2S
Molecular Weight:
327.1969
IUPAC Name:
N-[5-bromo-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
InChI:
InChI=1S/C12H11BrN2O2S/c1-7(16)14-12-15-10(11(13)18-12)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H,14,15,16)
InChI Key:
ILKIPHUNBBXYOX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc(sc1Br)NC(=O)C

Properties

Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.972g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
327.196g/mol
Monoisotopic Mass:
325.972g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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