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Home > Nitro Compounds > 72586-67-5
72586-67-5 | Urea,N'-(4-acetylphenyl)-N-methyl-N-nitroso-
CAS No: 72586-67-5 Catalog No: AG005FXY MDL No:
Product Description
Catalog Number:
AG005FXY
Chemical Name:
Urea,N'-(4-acetylphenyl)-N-methyl-N-nitroso-
CAS Number:
72586-67-5
Molecular Formula:
C10H11N3O3
Molecular Weight:
221.2126
IUPAC Name:
3-(4-acetylphenyl)-1-methyl-1-nitrosourea
InChI:
InChI=1S/C10H11N3O3/c1-7(14)8-3-5-9(6-4-8)11-10(15)13(2)12-16/h3-6H,1-2H3,(H,11,15)
InChI Key:
MWQPYRCKGCKHPV-UHFFFAOYSA-N
SMILES:
O=NN(C(=O)Nc1ccc(cc1)C(=O)C)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.216g/mol
Monoisotopic Mass:
221.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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