Home Halogens 1-[2-chloro-4-(methylsulfanyl)phenyl]ethan-1-one

1-[2-chloro-4-(methylsulfanyl)phenyl]ethan-1-one

CAS No.:
35515-31-2
Catalog Number:
AG019Y4W
Molecular Formula:
C9H9ClOS
Molecular Weight:
200.6852
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Product Description
Catalog Number:
AG019Y4W
Chemical Name:
1-[2-chloro-4-(methylsulfanyl)phenyl]ethan-1-one
CAS Number:
35515-31-2
Molecular Formula:
C9H9ClOS
Molecular Weight:
200.6852
MDL Number:
MFCD19981474
IUPAC Name:
1-(2-chloro-4-methylsulfanylphenyl)ethanone
InChI:
InChI=1S/C9H9ClOS/c1-6(11)8-4-3-7(12-2)5-9(8)10/h3-5H,1-2H3
InChI Key:
YZLNUKOPZVCGKW-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1)Cl)C(=O)C
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.006g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.68g/mol
Monoisotopic Mass:
200.006g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties