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Home > Nitro Compounds > 87316-91-4
87316-91-4 | Benzenesulfonamide, 4-methyl-N-(2-methyl-6-nitrophenyl)-3-nitro-
CAS No: 87316-91-4 Catalog No: AG004HOQ MDL No:
Product Description
Catalog Number:
AG004HOQ
Chemical Name:
Benzenesulfonamide, 4-methyl-N-(2-methyl-6-nitrophenyl)-3-nitro-
CAS Number:
87316-91-4
Molecular Formula:
C14H13N3O6S
Molecular Weight:
351.3345
IUPAC Name:
4-methyl-N-(2-methyl-6-nitrophenyl)-3-nitrobenzenesulfonamide
InChI:
InChI=1S/C14H13N3O6S/c1-9-6-7-11(8-13(9)17(20)21)24(22,23)15-14-10(2)4-3-5-12(14)16(18)19/h3-8,15H,1-2H3
InChI Key:
RWVMAGQTBAQAHR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C)S(=O)(=O)Nc1c(C)cccc1[N+](=O)[O-]
Properties
Complexity:
579
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.053g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.333g/mol
Monoisotopic Mass:
351.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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