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122654-08-4 | Ethanone, 2,2-dibromo-1-(5-methyl-2-thienyl)-
CAS No: 122654-08-4 Catalog No: AG0017KU MDL No:
Product Description
Catalog Number:
AG0017KU
Chemical Name:
Ethanone, 2,2-dibromo-1-(5-methyl-2-thienyl)-
CAS Number:
122654-08-4
Molecular Formula:
C7H6Br2OS
Molecular Weight:
297.9949
IUPAC Name:
2,2-dibromo-1-(5-methylthiophen-2-yl)ethanone
InChI:
InChI=1S/C7H6Br2OS/c1-4-2-3-5(11-4)6(10)7(8)9/h2-3,7H,1H3
InChI Key:
UWMUIPFWHXMDBV-UHFFFAOYSA-N
SMILES:
BrC(C(=O)c1ccc(s1)C)Br
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.849g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.992g/mol
Monoisotopic Mass:
295.851g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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