Home Other Building Blocks 1-{4-[(difluoromethyl)sulfanyl]phenyl}ethan-1-one

1-{4-[(difluoromethyl)sulfanyl]phenyl}ethan-1-one

CAS No.:
145326-60-9
Catalog Number:
AG01AJ3U
Molecular Formula:
C9H8F2OS
Molecular Weight:
202.2210
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Product Description
Catalog Number:
AG01AJ3U
Chemical Name:
1-{4-[(difluoromethyl)sulfanyl]phenyl}ethan-1-one
CAS Number:
145326-60-9
Molecular Formula:
C9H8F2OS
Molecular Weight:
202.2210
MDL Number:
MFCD19382047
IUPAC Name:
1-[4-(difluoromethylsulfanyl)phenyl]ethanone
InChI:
InChI=1S/C9H8F2OS/c1-6(12)7-2-4-8(5-3-7)13-9(10)11/h2-5,9H,1H3
InChI Key:
PJZYCTROGSSATA-UHFFFAOYSA-N
SMILES:
FC(Sc1ccc(cc1)C(=O)C)F
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.026g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.219g/mol
Monoisotopic Mass:
202.026g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties