Home Other Building Blocks 1-[3-fluoro-4-(methylsulfanyl)phenyl]ethan-1-one

1-[3-fluoro-4-(methylsulfanyl)phenyl]ethan-1-one

CAS No.:
2968-09-4
Catalog Number:
AG019PQZ
Molecular Formula:
C9H9FOS
Molecular Weight:
184.2306
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Product Description
Catalog Number:
AG019PQZ
Chemical Name:
1-[3-fluoro-4-(methylsulfanyl)phenyl]ethan-1-one
CAS Number:
2968-09-4
Molecular Formula:
C9H9FOS
Molecular Weight:
184.2306
MDL Number:
MFCD12779613
IUPAC Name:
1-(3-fluoro-4-methylsulfanylphenyl)ethanone
InChI:
InChI=1S/C9H9FOS/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3
InChI Key:
NNTGAWVZMJBMBV-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1F)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:
184.036g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.228g/mol
Monoisotopic Mass:
184.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties