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Home > Nitro Compounds > 87468-20-0
87468-20-0 | Urea, N-(4-methoxyphenyl)-N-nitroso-N'-phenyl-
CAS No: 87468-20-0 Catalog No: AG004FNY MDL No:
Product Description
Catalog Number:
AG004FNY
Chemical Name:
Urea, N-(4-methoxyphenyl)-N-nitroso-N'-phenyl-
CAS Number:
87468-20-0
Molecular Formula:
C14H13N3O3
Molecular Weight:
271.2713
IUPAC Name:
1-(4-methoxyphenyl)-1-nitroso-3-phenylurea
InChI:
InChI=1S/C14H13N3O3/c1-20-13-9-7-12(8-10-13)17(16-19)14(18)15-11-5-3-2-4-6-11/h2-10H,1H3,(H,15,18)
InChI Key:
JIDYQUYJOJWKKA-UHFFFAOYSA-N
SMILES:
O=NN(C(=O)Nc1ccccc1)c1ccc(cc1)OC
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.276g/mol
Monoisotopic Mass:
271.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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