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Home > Nitro Compounds > 126395-22-0
126395-22-0 | Benzamide, 2,4,6-trihydroxy-3-nitro-N-octyl-
CAS No: 126395-22-0 Catalog No: AG000SQD MDL No:
Product Description
Catalog Number:
AG000SQD
Chemical Name:
Benzamide, 2,4,6-trihydroxy-3-nitro-N-octyl-
CAS Number:
126395-22-0
Molecular Formula:
C15H22N2O6
Molecular Weight:
326.3450
IUPAC Name:
2,4,6-trihydroxy-3-nitro-N-octylbenzamide
InChI:
InChI=1S/C15H22N2O6/c1-2-3-4-5-6-7-8-16-15(21)12-10(18)9-11(19)13(14(12)20)17(22)23/h9,18-20H,2-8H2,1H3,(H,16,21)
InChI Key:
GHKVBXWBMCWZKD-UHFFFAOYSA-N
SMILES:
CCCCCCCCNC(=O)c1c(O)cc(c(c1O)[N+](=O)[O-])O
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.148g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
326.349g/mol
Monoisotopic Mass:
326.148g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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