Home Other Building Blocks 1-(1-benzothiophen-7-yl)ethan-1-one

1-(1-benzothiophen-7-yl)ethan-1-one

CAS No.:
22720-52-1
Catalog Number:
AG01BFI6
Molecular Formula:
C10H8OS
Molecular Weight:
176.2349
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Product Description
Catalog Number:
AG01BFI6
Chemical Name:
1-(1-benzothiophen-7-yl)ethan-1-one
CAS Number:
22720-52-1
Molecular Formula:
C10H8OS
Molecular Weight:
176.2349
MDL Number:
MFCD18451765
IUPAC Name:
1-(1-benzothiophen-7-yl)ethanone
InChI:
InChI=1S/C10H8OS/c1-7(11)9-4-2-3-8-5-6-12-10(8)9/h2-6H,1H3
InChI Key:
QNAQOGFFDWSXKQ-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc2c1scc2
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.03g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.233g/mol
Monoisotopic Mass:
176.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties