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Home > Nitro Compounds > 83963-52-4
83963-52-4 | Urea, N-decyl-N'-(4-nitrophenyl)-
CAS No: 83963-52-4 Catalog No: AG0052S2 MDL No:
Product Description
Catalog Number:
AG0052S2
Chemical Name:
Urea, N-decyl-N'-(4-nitrophenyl)-
CAS Number:
83963-52-4
Molecular Formula:
C17H27N3O3
Molecular Weight:
321.4146
IUPAC Name:
1-decyl-3-(4-nitrophenyl)urea
InChI:
InChI=1S/C17H27N3O3/c1-2-3-4-5-6-7-8-9-14-18-17(21)19-15-10-12-16(13-11-15)20(22)23/h10-13H,2-9,14H2,1H3,(H2,18,19,21)
InChI Key:
PXMYNFKUCQDECF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCNC(=O)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.205g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.421g/mol
Monoisotopic Mass:
321.205g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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