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Home > Nitro Compounds > 101091-67-2
101091-67-2 | Urea, N-ethyl-N'-(4-nitrophenyl)-N-phenyl-
CAS No: 101091-67-2 Catalog No: AG0003Q1 MDL No:
Product Description
Catalog Number:
AG0003Q1
Chemical Name:
Urea, N-ethyl-N'-(4-nitrophenyl)-N-phenyl-
CAS Number:
101091-67-2
Molecular Formula:
C15H15N3O3
Molecular Weight:
285.2979
IUPAC Name:
1-ethyl-3-(4-nitrophenyl)-1-phenylurea
InChI:
InChI=1S/C15H15N3O3/c1-2-17(13-6-4-3-5-7-13)15(19)16-12-8-10-14(11-9-12)18(20)21/h3-11H,2H2,1H3,(H,16,19)
InChI Key:
CIHPZFSLVZJINP-UHFFFAOYSA-N
SMILES:
CCN(c1ccccc1)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.303g/mol
Monoisotopic Mass:
285.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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