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2968-13-0

2968-13-0 | 2-Propanone, 1-[(4-fluorophenyl)thio]-

CAS No: 2968-13-0 Catalog No: AG002Z33 MDL No:MFCD00179340

Product Description

Catalog Number:
AG002Z33
Chemical Name:
2-Propanone, 1-[(4-fluorophenyl)thio]-
CAS Number:
2968-13-0
Molecular Formula:
C9H9FOS
Molecular Weight:
184.2306
MDL Number:
MFCD00179340
IUPAC Name:
1-(4-fluorophenyl)sulfanylpropan-2-one
InChI:
InChI=1S/C9H9FOS/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5H,6H2,1H3
InChI Key:
MKJQBSVPZYELIJ-UHFFFAOYSA-N
SMILES:
CC(=O)CSc1ccc(cc1)F

Properties

Complexity:
153  
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:
3  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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