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820961-10-2 | Benzenesulfonamide, N-(2-bromo-5-nitrophenyl)-N-methyl-2-nitro-
CAS No: 820961-10-2 Catalog No: AG004X2E MDL No:
Product Description
Catalog Number:
AG004X2E
Chemical Name:
Benzenesulfonamide, N-(2-bromo-5-nitrophenyl)-N-methyl-2-nitro-
CAS Number:
820961-10-2
Molecular Formula:
C13H10BrN3O6S
Molecular Weight:
416.2040
IUPAC Name:
N-(2-bromo-5-nitrophenyl)-N-methyl-2-nitrobenzenesulfonamide
InChI:
InChI=1S/C13H10BrN3O6S/c1-15(12-8-9(16(18)19)6-7-10(12)14)24(22,23)13-5-3-2-4-11(13)17(20)21/h2-8H,1H3
InChI Key:
ASRYUIPBYOGHOZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)N(S(=O)(=O)c1ccccc1[N+](=O)[O-])C)Br
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.947g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.202g/mol
Monoisotopic Mass:
414.947g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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