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


Chemical Name: 1-(7-CHLORO-3-METHYL-1-BENZOTHIOPHEN-2-YL)ETHAN-1-ONE
CAS Number: 38056-11-0
Product Number: AG01DTEB(AG01DTEB)
Synonyms:
MDL No:
Molecular Formula: C11H9ClOS
Molecular Weight: 224.7066

Identification/Properties


Computed Properties
Molecular Weight:
224.702g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
224.006g/mol
Monoisotopic Mass:
224.006g/mol
Topological Polar Surface Area:
45.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
243
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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