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Home > Nitro Compounds > 89840-74-4
89840-74-4 | Benzenesulfonamide, N-(1-methylpropyl)-3-nitro-
CAS No: 89840-74-4 Catalog No: AG003YYT MDL No:
Product Description
Catalog Number:
AG003YYT
Chemical Name:
Benzenesulfonamide, N-(1-methylpropyl)-3-nitro-
CAS Number:
89840-74-4
Molecular Formula:
C10H14N2O4S
Molecular Weight:
258.2942
IUPAC Name:
N-butan-2-yl-3-nitrobenzenesulfonamide
InChI:
InChI=1S/C10H14N2O4S/c1-3-8(2)11-17(15,16)10-6-4-5-9(7-10)12(13)14/h4-8,11H,3H2,1-2H3
InChI Key:
OVHYFCHZFXUBNC-UHFFFAOYSA-N
SMILES:
CCC(NS(=O)(=O)c1cccc(c1)[N+](=O)[O-])C
Properties
Complexity:
358
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:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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