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Home > Nitro Compounds > 81713-77-1
81713-77-1 | Octadecanamide, N-(4-nitrophenyl)-
CAS No: 81713-77-1 Catalog No: AG005J0I MDL No:
Product Description
Catalog Number:
AG005J0I
Chemical Name:
Octadecanamide, N-(4-nitrophenyl)-
CAS Number:
81713-77-1
Molecular Formula:
C24H40N2O3
Molecular Weight:
404.5860
IUPAC Name:
N-(4-nitrophenyl)octadecanamide
InChI:
InChI=1S/C24H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)25-22-18-20-23(21-19-22)26(28)29/h18-21H,2-17H2,1H3,(H,25,27)
InChI Key:
QAOSXQUJMCSBGZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.304g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.595g/mol
Monoisotopic Mass:
404.304g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
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