Home Nitros 1-(benzylsulfanyl)-2-fluoro-4-nitrobenzene

1-(benzylsulfanyl)-2-fluoro-4-nitrobenzene

CAS No.:
1242618-52-5
Catalog Number:
AG01ALOR
Molecular Formula:
C13H10FNO2S
Molecular Weight:
263.2874
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Product Description
Catalog Number:
AG01ALOR
Chemical Name:
1-(benzylsulfanyl)-2-fluoro-4-nitrobenzene
CAS Number:
1242618-52-5
Molecular Formula:
C13H10FNO2S
Molecular Weight:
263.2874
MDL Number:
MFCD25460330
IUPAC Name:
1-benzylsulfanyl-2-fluoro-4-nitrobenzene
InChI:
InChI=1S/C13H10FNO2S/c14-12-8-11(15(16)17)6-7-13(12)18-9-10-4-2-1-3-5-10/h1-8H,9H2
InChI Key:
PEKGOUYUWKERAD-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1SCc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.042g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.286g/mol
Monoisotopic Mass:
263.042g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties