Home Sulfos Acetonitrile, 2-[[(4-fluorophenyl)methyl]sulfonyl]-

Acetonitrile, 2-[[(4-fluorophenyl)methyl]sulfonyl]-

CAS No.:
175276-84-3
Catalog Number:
AG0020RW
Molecular Formula:
C9H8FNO2S
Molecular Weight:
213.2287
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Product Description
Catalog Number:
AG0020RW
Chemical Name:
Acetonitrile, 2-[[(4-fluorophenyl)methyl]sulfonyl]-
CAS Number:
175276-84-3
Molecular Formula:
C9H8FNO2S
Molecular Weight:
213.2287
MDL Number:
MFCD00173823
IUPAC Name:
2-[(4-fluorophenyl)methylsulfonyl]acetonitrile
InChI:
InChI=1S/C9H8FNO2S/c10-9-3-1-8(2-4-9)7-14(12,13)6-5-11/h1-4H,6-7H2
InChI Key:
IZEHAEXXALJLQR-UHFFFAOYSA-N
SMILES:
N#CCS(=O)(=O)Cc1ccc(cc1)F
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.026g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.226g/mol
Monoisotopic Mass:
213.026g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties