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Home > Nitro Compounds > 89840-94-8
89840-94-8 | Benzenesulfonamide, N,4,5-trimethyl-2-nitro-
CAS No: 89840-94-8 Catalog No: AG003YRQ MDL No:
Product Description
Catalog Number:
AG003YRQ
Chemical Name:
Benzenesulfonamide, N,4,5-trimethyl-2-nitro-
CAS Number:
89840-94-8
Molecular Formula:
C9H12N2O4S
Molecular Weight:
244.2676
IUPAC Name:
N,4,5-trimethyl-2-nitrobenzenesulfonamide
InChI:
InChI=1S/C9H12N2O4S/c1-6-4-8(11(12)13)9(5-7(6)2)16(14,15)10-3/h4-5,10H,1-3H3
InChI Key:
MRSBQUAHWHBPAT-UHFFFAOYSA-N
SMILES:
CNS(=O)(=O)c1cc(C)c(cc1[N+](=O)[O-])C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.265g/mol
Monoisotopic Mass:
244.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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