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87316-88-9 | Benzenesulfonamide, N-(2-chloro-4-nitrophenyl)-4-methyl-3-nitro-
CAS No: 87316-88-9 Catalog No: AG004OPU MDL No:
Product Description
Catalog Number:
AG004OPU
Chemical Name:
Benzenesulfonamide, N-(2-chloro-4-nitrophenyl)-4-methyl-3-nitro-
CAS Number:
87316-88-9
Molecular Formula:
C13H10ClN3O6S
Molecular Weight:
371.7530
IUPAC Name:
N-(2-chloro-4-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide
InChI:
InChI=1S/C13H10ClN3O6S/c1-8-2-4-10(7-13(8)17(20)21)24(22,23)15-12-5-3-9(16(18)19)6-11(12)14/h2-7,15H,1H3
InChI Key:
BAHGPVCYQCDDOO-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1NS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C)[N+](=O)[O-]
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.998g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
371.748g/mol
Monoisotopic Mass:
370.998g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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