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156801-47-7 | Ethanone, 2-chloro-1-(5-chloro-3-methylbenzo[b]thien-2-yl)-
CAS No: 156801-47-7 Catalog No: AG001P0O MDL No:MFCD00052305
Product Description
Catalog Number:
AG001P0O
Chemical Name:
Ethanone, 2-chloro-1-(5-chloro-3-methylbenzo[b]thien-2-yl)-
CAS Number:
156801-47-7
Molecular Formula:
C11H8Cl2OS
Molecular Weight:
259.1516
MDL Number:
MFCD00052305
IUPAC Name:
2-chloro-1-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethanone
InChI:
InChI=1S/C11H8Cl2OS/c1-6-8-4-7(13)2-3-10(8)15-11(6)9(14)5-12/h2-4H,5H2,1H3
InChI Key:
MSOJRYIWMSFMDD-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1sc2c(c1C)cc(cc2)Cl
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.967g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.144g/mol
Monoisotopic Mass:
257.967g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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