Home Halogens 1-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one

1-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one

CAS No.:
1248601-42-4
Catalog Number:
AG01AAJW
Molecular Formula:
C12H10BrNOS
Molecular Weight:
296.1829
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Product Description
Catalog Number:
AG01AAJW
Chemical Name:
1-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one
CAS Number:
1248601-42-4
Molecular Formula:
C12H10BrNOS
Molecular Weight:
296.1829
MDL Number:
MFCD14615022
IUPAC Name:
1-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
InChI:
InChI=1S/C12H10BrNOS/c1-7-11(8(2)15)16-12(14-7)9-5-3-4-6-10(9)13/h3-6H,1-2H3
InChI Key:
BLHKTKQSRMWGOV-UHFFFAOYSA-N
SMILES:
Brc1ccccc1c1nc(c(s1)C(=O)C)C
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.967g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.182g/mol
Monoisotopic Mass:
294.967g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties