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Home > Nitro Compounds > 83963-54-6
83963-54-6 | Urea, N-(4-nitrophenyl)-N'-octyl-
CAS No: 83963-54-6 Catalog No: AG004UNB MDL No:
Product Description
Catalog Number:
AG004UNB
Chemical Name:
Urea, N-(4-nitrophenyl)-N'-octyl-
CAS Number:
83963-54-6
Molecular Formula:
C15H23N3O3
Molecular Weight:
293.3614
IUPAC Name:
1-(4-nitrophenyl)-3-octylurea
InChI:
InChI=1S/C15H23N3O3/c1-2-3-4-5-6-7-12-16-15(19)17-13-8-10-14(11-9-13)18(20)21/h8-11H,2-7,12H2,1H3,(H2,16,17,19)
InChI Key:
YCOBGDNYANPWPE-UHFFFAOYSA-N
SMILES:
CCCCCCCCNC(=O)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.174g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.367g/mol
Monoisotopic Mass:
293.174g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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