Home Nitros 2-(benzylsulfanyl)-1-fluoro-3-nitrobenzene

2-(benzylsulfanyl)-1-fluoro-3-nitrobenzene

CAS No.:
1242618-47-8
Catalog Number:
AG01BBNV
Molecular Formula:
C13H10FNO2S
Molecular Weight:
263.2874
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Product Description
Catalog Number:
AG01BBNV
Chemical Name:
2-(benzylsulfanyl)-1-fluoro-3-nitrobenzene
CAS Number:
1242618-47-8
Molecular Formula:
C13H10FNO2S
Molecular Weight:
263.2874
MDL Number:
MFCD28714579
IUPAC Name:
2-benzylsulfanyl-1-fluoro-3-nitrobenzene
InChI:
InChI=1S/C13H10FNO2S/c14-11-7-4-8-12(15(16)17)13(11)18-9-10-5-2-1-3-6-10/h1-8H,9H2
InChI Key:
WNGHCHQKFJGBQG-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1SCc1ccccc1)[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