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115243-47-5 | 1H-Benzimidazole-2-sulfonamide, N,N,1-triethyl-6-nitro-
CAS No: 115243-47-5 Catalog No: AG000GHR MDL No:
Product Description
Catalog Number:
AG000GHR
Chemical Name:
1H-Benzimidazole-2-sulfonamide, N,N,1-triethyl-6-nitro-
CAS Number:
115243-47-5
Molecular Formula:
C13H18N4O4S
Molecular Weight:
326.3714
IUPAC Name:
N,N,1-triethyl-6-nitrobenzimidazole-2-sulfonamide
InChI:
InChI=1S/C13H18N4O4S/c1-4-15(5-2)22(20,21)13-14-11-8-7-10(17(18)19)9-12(11)16(13)6-3/h7-9H,4-6H2,1-3H3
InChI Key:
ZDAZLOGHHTUNIO-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1nc2c(n1CC)cc(cc2)[N+](=O)[O-])CC
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.371g/mol
Monoisotopic Mass:
326.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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