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175203-97-1 | Ethanone, 2-bromo-1-(5-chloro-3-methylbenzo[b]thien-2-yl)-
CAS No: 175203-97-1 Catalog No: AG0020KP MDL No:MFCD00173792
Product Description
Catalog Number:
AG0020KP
Chemical Name:
Ethanone, 2-bromo-1-(5-chloro-3-methylbenzo[b]thien-2-yl)-
CAS Number:
175203-97-1
Molecular Formula:
C11H8BrClOS
Molecular Weight:
303.6026
MDL Number:
MFCD00173792
IUPAC Name:
2-bromo-1-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethanone
InChI:
InChI=1S/C11H8BrClOS/c1-6-8-4-7(13)2-3-10(8)15-11(6)9(14)5-12/h2-4H,5H2,1H3
InChI Key:
HBNULIMIUQEVFS-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1sc2c(c1C)cc(cc2)Cl
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.917g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.598g/mol
Monoisotopic Mass:
301.917g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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