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823790-59-6 | Benzenesulfonamide, N-(6-bromohexyl)-N-methyl-4-nitro-
CAS No: 823790-59-6 Catalog No: AG004Y9J MDL No:
Product Description
Catalog Number:
AG004Y9J
Chemical Name:
Benzenesulfonamide, N-(6-bromohexyl)-N-methyl-4-nitro-
CAS Number:
823790-59-6
Molecular Formula:
C13H19BrN2O4S
Molecular Weight:
379.2700
IUPAC Name:
N-(6-bromohexyl)-N-methyl-4-nitrobenzenesulfonamide
InChI:
InChI=1S/C13H19BrN2O4S/c1-15(11-5-3-2-4-10-14)21(19,20)13-8-6-12(7-9-13)16(17)18/h6-9H,2-5,10-11H2,1H3
InChI Key:
FJSZQWGIYQSFOI-UHFFFAOYSA-N
SMILES:
BrCCCCCCN(S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.025g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.269g/mol
Monoisotopic Mass:
378.025g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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