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Home > Nitro Compounds > 89840-75-5
89840-75-5 | Benzenesulfonamide, 3-nitro-N-octyl-
CAS No: 89840-75-5 Catalog No: AG003WVY MDL No:
Product Description
Catalog Number:
AG003WVY
Chemical Name:
Benzenesulfonamide, 3-nitro-N-octyl-
CAS Number:
89840-75-5
Molecular Formula:
C14H22N2O4S
Molecular Weight:
314.4005
IUPAC Name:
3-nitro-N-octylbenzenesulfonamide
InChI:
InChI=1S/C14H22N2O4S/c1-2-3-4-5-6-7-11-15-21(19,20)14-10-8-9-13(12-14)16(17)18/h8-10,12,15H,2-7,11H2,1H3
InChI Key:
DNMFNIDIZOLZLL-UHFFFAOYSA-N
SMILES:
CCCCCCCCNS(=O)(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.13g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.4g/mol
Monoisotopic Mass:
314.13g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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