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Home > Nitro Compounds > 89840-78-8
89840-78-8 | Benzenesulfonamide, N,N-dibutyl-3-nitro-
CAS No: 89840-78-8 Catalog No: AG003YRX MDL No:
Product Description
Catalog Number:
AG003YRX
Chemical Name:
Benzenesulfonamide, N,N-dibutyl-3-nitro-
CAS Number:
89840-78-8
Molecular Formula:
C14H22N2O4S
Molecular Weight:
314.4005
IUPAC Name:
N,N-dibutyl-3-nitrobenzenesulfonamide
InChI:
InChI=1S/C14H22N2O4S/c1-3-5-10-15(11-6-4-2)21(19,20)14-9-7-8-13(12-14)16(17)18/h7-9,12H,3-6,10-11H2,1-2H3
InChI Key:
OMACDCRGEOQSRG-UHFFFAOYSA-N
SMILES:
CCCCN(S(=O)(=O)c1cccc(c1)[N+](=O)[O-])CCCC
Properties
Complexity:
406
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:
3.4
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