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Home > Nitro Compounds > 138517-15-4
138517-15-4 | Urea, N-(4-nitrophenyl)-N'-octadecyl-
CAS No: 138517-15-4 Catalog No: AG0019CO MDL No:
Product Description
Catalog Number:
AG0019CO
Chemical Name:
Urea, N-(4-nitrophenyl)-N'-octadecyl-
CAS Number:
138517-15-4
Molecular Formula:
C25H43N3O3
Molecular Weight:
433.6272
IUPAC Name:
1-(4-nitrophenyl)-3-octadecylurea
InChI:
InChI=1S/C25H43N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-26-25(29)27-23-18-20-24(21-19-23)28(30)31/h18-21H,2-17,22H2,1H3,(H2,26,27,29)
InChI Key:
QBPAURVUUQKQEQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.33g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
433.637g/mol
Monoisotopic Mass:
433.33g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
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