Home Other Building Blocks 1-(7-CHLORO-3-METHYL-1-BENZOTHIOPHEN-2-YL)ETHAN-1-ONE

1-(7-CHLORO-3-METHYL-1-BENZOTHIOPHEN-2-YL)ETHAN-1-ONE

CAS No.:
38056-11-0
Catalog Number:
AG01DTEB
Molecular Formula:
C11H9ClOS
Molecular Weight:
224.7066
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Product Description
Catalog Number:
AG01DTEB
Chemical Name:
1-(7-CHLORO-3-METHYL-1-BENZOTHIOPHEN-2-YL)ETHAN-1-ONE
CAS Number:
38056-11-0
Molecular Formula:
C11H9ClOS
Molecular Weight:
224.7066
MDL Number:
MFCD11207762
IUPAC Name:
1-(7-chloro-3-methyl-1-benzothiophen-2-yl)ethanone
InChI:
InChI=1S/C11H9ClOS/c1-6-8-4-3-5-9(12)11(8)14-10(6)7(2)13/h3-5H,1-2H3
InChI Key:
JTVIOSNFWXXECZ-UHFFFAOYSA-N
SMILES:
CC(=O)c1sc2c(c1C)cccc2Cl
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.006g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.702g/mol
Monoisotopic Mass:
224.006g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties