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Home > Nitro Compounds > 89840-72-2
89840-72-2 | N-Butyl-3-nitrobenzenesulfonamide
CAS No: 89840-72-2 Catalog No: AG003SUM MDL No:MFCD00144862
Product Description
Catalog Number:
AG003SUM
Chemical Name:
N-Butyl-3-nitrobenzenesulfonamide
CAS Number:
89840-72-2
Molecular Formula:
C10H14N2O4S
Molecular Weight:
258.2942
MDL Number:
MFCD00144862
IUPAC Name:
N-butyl-3-nitrobenzenesulfonamide
InChI:
InChI=1S/C10H14N2O4S/c1-2-3-7-11-17(15,16)10-6-4-5-9(8-10)12(13)14/h4-6,8,11H,2-3,7H2,1H3
InChI Key:
OZIMAACTQKBWTF-UHFFFAOYSA-N
SMILES:
CCCCNS(=O)(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.292g/mol
Monoisotopic Mass:
258.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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