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Home > Nitro Compounds > 6939-96-4
6939-96-4 | 1-(4-nitrophenyl)-3-(4-nitrosophenyl)urea
CAS No: 6939-96-4 Catalog No: AG005MRO MDL No:
Product Description
Catalog Number:
AG005MRO
Chemical Name:
1-(4-nitrophenyl)-3-(4-nitrosophenyl)urea
CAS Number:
6939-96-4
Molecular Formula:
C13H10N4O4
Molecular Weight:
286.2429
IUPAC Name:
1-(4-nitrophenyl)-3-(4-nitrosophenyl)urea
InChI:
InChI=1S/C13H10N4O4/c18-13(14-9-1-3-11(16-19)4-2-9)15-10-5-7-12(8-6-10)17(20)21/h1-8H,(H2,14,15,18)
InChI Key:
XSSJIDRTHFIYQT-UHFFFAOYSA-N
SMILES:
O=Nc1ccc(cc1)NC(=O)Nc1ccc(cc1)[N+](=O)[O-]
NSC Number:
38785
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.07g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.247g/mol
Monoisotopic Mass:
286.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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