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1166756-97-3

1166756-97-3 | Benzene, 2-fluoro-4-(methylsulfonyl)-1-nitro-

CAS No: 1166756-97-3 Catalog No: AG000CYQ MDL No:MFCD12828682

Product Description

Catalog Number:
AG000CYQ
Chemical Name:
Benzene, 2-fluoro-4-(methylsulfonyl)-1-nitro-
CAS Number:
1166756-97-3
Molecular Formula:
C7H6FNO4S
Molecular Weight:
219.1902
MDL Number:
MFCD12828682
IUPAC Name:
2-fluoro-4-methylsulfonyl-1-nitrobenzene
InChI:
InChI=1S/C7H6FNO4S/c1-14(12,13)5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
InChI Key:
NIAYCKUEQBPTDM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1F)S(=O)(=O)C

Properties

Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.186g/mol
Monoisotopic Mass:
219g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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