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Home > Nitro Compounds > 188997-92-4
188997-92-4 | Ethanediamide, N1-[(3-nitrophenyl)sulfonyl]-N2-(2,4,6-trimethylphenyl)-
CAS No: 188997-92-4 Catalog No: AG002HNH MDL No:
Product Description
Catalog Number:
AG002HNH
Chemical Name:
Ethanediamide, N1-[(3-nitrophenyl)sulfonyl]-N2-(2,4,6-trimethylphenyl)-
CAS Number:
188997-92-4
Molecular Formula:
C17H17N3O6S
Molecular Weight:
391.3984
IUPAC Name:
N'-(3-nitrophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)oxamide
InChI:
InChI=1S/C17H17N3O6S/c1-10-7-11(2)15(12(3)8-10)18-16(21)17(22)19-27(25,26)14-6-4-5-13(9-14)20(23)24/h4-9H,1-3H3,(H,18,21)(H,19,22)
InChI Key:
NGCWJYWXKSRUMW-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)NC(=O)C(=O)NS(=O)(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
672
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.084g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
391.398g/mol
Monoisotopic Mass:
391.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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