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Home > Nitro Compounds > 89840-71-1
89840-71-1 | Benzenesulfonamide, 3-nitro-N-propyl-
CAS No: 89840-71-1 Catalog No: AG003YYU MDL No:
Product Description
Catalog Number:
AG003YYU
Chemical Name:
Benzenesulfonamide, 3-nitro-N-propyl-
CAS Number:
89840-71-1
Molecular Formula:
C9H12N2O4S
Molecular Weight:
244.2676
IUPAC Name:
3-nitro-N-propylbenzenesulfonamide
InChI:
InChI=1S/C9H12N2O4S/c1-2-6-10-16(14,15)9-5-3-4-8(7-9)11(12)13/h3-5,7,10H,2,6H2,1H3
InChI Key:
FTYJDBDXQLPKBG-UHFFFAOYSA-N
SMILES:
CCCNS(=O)(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.265g/mol
Monoisotopic Mass:
244.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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