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Home > Nitro Compounds > 89840-68-6
89840-68-6 | Benzenesulfonamide, 2-nitro-N-octyl-
CAS No: 89840-68-6 Catalog No: AG003XLM MDL No:
Product Description
Catalog Number:
AG003XLM
Chemical Name:
Benzenesulfonamide, 2-nitro-N-octyl-
CAS Number:
89840-68-6
Molecular Formula:
C14H22N2O4S
Molecular Weight:
314.4005
IUPAC Name:
2-nitro-N-octylbenzenesulfonamide
InChI:
InChI=1S/C14H22N2O4S/c1-2-3-4-5-6-9-12-15-21(19,20)14-11-8-7-10-13(14)16(17)18/h7-8,10-11,15H,2-6,9,12H2,1H3
InChI Key:
QQWREYOMJVEYIA-UHFFFAOYSA-N
SMILES:
CCCCCCCCNS(=O)(=O)c1ccccc1[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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