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Home > Nitro Compounds > 89840-85-7
89840-85-7 | N,N-DIBUTYL-4-NITRO-BENZENESULFONAMIDE
CAS No: 89840-85-7 Catalog No: AG003WVX MDL No:
Product Description
Catalog Number:
AG003WVX
Chemical Name:
N,N-DIBUTYL-4-NITRO-BENZENESULFONAMIDE
CAS Number:
89840-85-7
Molecular Formula:
C14H22N2O4S
Molecular Weight:
314.4005
IUPAC Name:
N,N-dibutyl-4-nitrobenzenesulfonamide
InChI:
InChI=1S/C14H22N2O4S/c1-3-5-11-15(12-6-4-2)21(19,20)14-9-7-13(8-10-14)16(17)18/h7-10H,3-6,11-12H2,1-2H3
InChI Key:
HAWIWTYMXNVQBJ-UHFFFAOYSA-N
SMILES:
CCCCN(S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])CCCC
NSC Number:
30341
Properties
Complexity:
398
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:
0
Isotope Atom Count:
0
Molecular Weight:
314.4g/mol
Monoisotopic Mass:
314.13g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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