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Home > Nitro Compounds > 78417-81-9
78417-81-9 | Benzamide, 5-hexyl-2-hydroxy-N-(4-nitrophenyl)-
CAS No: 78417-81-9 Catalog No: AG0053JD MDL No:
Product Description
Catalog Number:
AG0053JD
Chemical Name:
Benzamide, 5-hexyl-2-hydroxy-N-(4-nitrophenyl)-
CAS Number:
78417-81-9
Molecular Formula:
C19H22N2O4
Molecular Weight:
342.3890
IUPAC Name:
5-hexyl-2-hydroxy-N-(4-nitrophenyl)benzamide
InChI:
InChI=1S/C19H22N2O4/c1-2-3-4-5-6-14-7-12-18(22)17(13-14)19(23)20-15-8-10-16(11-9-15)21(24)25/h7-13,22H,2-6H2,1H3,(H,20,23)
InChI Key:
PWHBTZAQDUCCBM-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(c(c1)C(=O)Nc1ccc(cc1)[N+](=O)[O-])O
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.158g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.395g/mol
Monoisotopic Mass:
342.158g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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