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Home > Nitro Compounds > 80198-24-9
80198-24-9 | N,N,4-trimethyl-3,5-dinitrobenzenesulfonamide
CAS No: 80198-24-9 Catalog No: AG00JGNB MDL No:MFCD02625853
Product Description
Catalog Number:
AG00JGNB
Chemical Name:
N,N,4-trimethyl-3,5-dinitrobenzenesulfonamide
CAS Number:
80198-24-9
Molecular Formula:
C9H11N3O6S
Molecular Weight:
289.2651
MDL Number:
MFCD02625853
IUPAC Name:
N,N,4-trimethyl-3,5-dinitrobenzenesulfonamide
InChI:
InChI=1S/C9H11N3O6S/c1-6-8(11(13)14)4-7(5-9(6)12(15)16)19(17,18)10(2)3/h4-5H,1-3H3
InChI Key:
LBAJJURTSAUERA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1C)[N+](=O)[O-])S(=O)(=O)N(C)C
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.037g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.262g/mol
Monoisotopic Mass:
289.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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