Home Sulfos 1-(Cyclohexylsulfonyl)-2-nitrobenzene

1-(Cyclohexylsulfonyl)-2-nitrobenzene

CAS No.:
76697-45-5
Catalog Number:
AG00ILWB
Molecular Formula:
C12H15NO4S
Molecular Weight:
269.3168
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Product Description
Catalog Number:
AG00ILWB
Chemical Name:
1-(Cyclohexylsulfonyl)-2-nitrobenzene
CAS Number:
76697-45-5
Molecular Formula:
C12H15NO4S
Molecular Weight:
269.3168
MDL Number:
MFCD20127628
IUPAC Name:
1-cyclohexylsulfonyl-2-nitrobenzene
InChI:
InChI=1S/C12H15NO4S/c14-13(15)11-8-4-5-9-12(11)18(16,17)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
InChI Key:
YVPHZYRYGLEPOE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1S(=O)(=O)C1CCCCC1
Properties
Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.072g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.315g/mol
Monoisotopic Mass:
269.072g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties