Home Nitros 1-(tert-butylsulfanyl)-2-fluoro-4-nitrobenzene

1-(tert-butylsulfanyl)-2-fluoro-4-nitrobenzene

CAS No.:
1864061-71-1
Catalog Number:
AG01AP0G
Molecular Formula:
C10H12FNO2S
Molecular Weight:
229.2712
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Product Description
Catalog Number:
AG01AP0G
Chemical Name:
1-(tert-butylsulfanyl)-2-fluoro-4-nitrobenzene
CAS Number:
1864061-71-1
Molecular Formula:
C10H12FNO2S
Molecular Weight:
229.2712
MDL Number:
MFCD29034351
IUPAC Name:
1-tert-butylsulfanyl-2-fluoro-4-nitrobenzene
InChI:
InChI=1S/C10H12FNO2S/c1-10(2,3)15-9-5-4-7(12(13)14)6-8(9)11/h4-6H,1-3H3
InChI Key:
GWROXQPBGHVJKU-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1SC(C)(C)C)[N+](=O)[O-]
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.057g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.269g/mol
Monoisotopic Mass:
229.057g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties