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Home > Nitro Compounds > 24827-78-9
24827-78-9 | Urea, N,N'-diethyl-N'-(4-nitrophenyl)-N-phenyl-
CAS No: 24827-78-9 Catalog No: AG002PKN MDL No:
Product Description
Catalog Number:
AG002PKN
Chemical Name:
Urea, N,N'-diethyl-N'-(4-nitrophenyl)-N-phenyl-
CAS Number:
24827-78-9
Molecular Formula:
C17H19N3O3
Molecular Weight:
313.3511
IUPAC Name:
1,3-diethyl-1-(4-nitrophenyl)-3-phenylurea
InChI:
InChI=1S/C17H19N3O3/c1-3-18(14-8-6-5-7-9-14)17(21)19(4-2)15-10-12-16(13-11-15)20(22)23/h5-13H,3-4H2,1-2H3
InChI Key:
MWQXCGJYCCBRJK-UHFFFAOYSA-N
SMILES:
CCN(C(=O)N(c1ccccc1)CC)c1ccc(cc1)[N+](=O)[O-]
EC Number:
246-483-3
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.143g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.357g/mol
Monoisotopic Mass:
313.143g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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